253-87-2 ((7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶,Pyrido[4,3-d]pyrimidine)

快速询单

结构式：

(7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶MOL文件

CAS号：

253-87-2

中文名称：

(7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶

英文名称：

Pyrido[4,3-d]pyrimidine

分子式：

C₇H₅N₃

分子量：

131.134700536728

(7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶(253-87-2)名称与标识符

名称

中文别名：

(7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶;

英文别名：

Pyrido[4,3-d]pyrimidine;1,3,6-Triazanaphthalene;253-87-2;SCHEMBL137377;PLZDHJUUEGCXJH-UHFFFAOYSA-N;AKOS006371475;pyrido(4,3-d)pyrimidine;DTXSID80600981;

标识符

InChIKey：

PLZDHJUUEGCXJH-UHFFFAOYSA-N

Inchi：

1S/C7H5N3/c1-2-8-3-6-4-9-5-10-7(1)6/h1-5H

SMILES：

N1C=NC=C2C=NC=CC=12

(7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶(253-87-2)物化性质

实验特性

PSA : 38.67

计算特性

精确分子量 : 131.04845
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 131.048347172g/mol
重原子数量 : 10
复杂度 : 115
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.5
拓扑分子极性表面积 : 38.7Å²

(7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶(253-87-2)相关文献

1. Recent developments in the chemistry of bicyclic 6-6 systems: chemistry of pyrido[4,3-d]pyrimidines
Khaled M. Elattar,Ba?ak Do?ru Mert RSC Adv. 2016 6 71827
2. Synthesis and antiproliferative evaluation of novel tetrahydrobenzo[4′,5′]thieno[3′,2′:5,6]pyrido[4,3-d]pyrimidine derivatives
Chu Tang,Yongju Liang,Shun Bai,Hongwu He,Yu Chen,Guangzhong Yang,Liwu Fu RSC Adv. 2014 4 29187
3. Medicinal chemistry perspective of pyrido[2,3-d]pyrimidines as anticancer agents
Adarsh Kumar,Kuber Kumar Bhagat,Ankit Kumar Singh,Harshwardhan Singh,Tanuja Angre,Amita Verma,Habibullah Khalilullah,Mariusz Jaremko,Abdul-Hamid Emwas,Pradeep Kumar RSC Adv. 2023 13 6872
4. Molecular and supramolecular chemistry of rosette nanotubes
Rachel L. Beingessner,Yiwen Fan,Hicham Fenniri RSC Adv. 2016 6 75820
5. Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions
Bo Li,Zhizhou Yue,Haoyue Xiang,Linlin Lv,Shanshan Song,Zehong Miao,Chunhao Yang RSC Adv. 2014 4 358
6. Pyridopyrimidines. Part VI. Fragmentation of some pyridopyrimidin-4(3H)-ones and pyridopyrimidine-2,4(1H,3H)-diones induced by electron impact
I. R. Gelling,W. J. Irwin,D. G. Wibberley J. Chem. Soc. B 1969 513
7. Keten dithioacetals. Part 11. Reaction of 3-cyano-4-methylthio-2(1H)-pyridones with hydrazine and guanidine: synthesis of novel substituted and fused pyrazolo[4,3-c]pyridone and pyrido[4,3-d]pyrimidine derivatives
Arvind Kumar,Hiriyakkanavar Ila,Hiriykkanavar Junjappa J. Chem. Soc. Perkin Trans. 1 1978 857
8. The synthesis of pyrido[4,3-d]pyrimidin-4(3H)-ones from 4-amino-nicotinic acid
A. G. Ismail,D. G. Wibberley J. Chem. Soc. C 1967 2613
9. 13C NMR relaxation study and 2D correlation spectroscopic investigation of some quinazoline- and pyrido(4,3-d)pyrimidine-2(1H)-ones and -thiones
András Neszmélyi,Tamás Lóránd J. Chem. Soc. Perkin Trans. 2 1991 1559
10. Synthesis and bio-properties of 4-piperidone containing compounds as curcumin mimics
Adel S. Girgis,Padraig D'Arcy,Dalia R. Aboshouk,Mohamed S. Bekheit RSC Adv. 2022 12 31102

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问答

960化工网为您提供(7CI,8CI,9CI)-吡啶并[4,3-d]嘧啶专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.253-87-2,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:253-87-2 国际站:253-87-2