Cas no 550345-60-3 (1,2-Ethanediamine, N1-(5-bromo-2-pyrimidinyl)-N2-methyl-)
550345-60-3 structure
Product Name:1,2-Ethanediamine, N1-(5-bromo-2-pyrimidinyl)-N2-methyl-
CAS No:550345-60-3
MF:C7H11BrN4
MW:231.093039751053
CID:2117022
Update Time:2023-08-04
1,2-Ethanediamine, N1-(5-bromo-2-pyrimidinyl)-N2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- N1-(5-bromo-2-pyrimidinyl)-N2-methyl-1,2-Ethanediamine
- VACDENJMSGOBGB-UHFFFAOYSA-N
- 1,2-Ethanediamine, N1-(5-bromo-2-pyrimidinyl)-N2-methyl-
- 5-bromo-N-[2-(methylamino)ethyl]pyrimidin-2-amine
- N-(5-bromo-pyrimidin-2-yl)-N'-methyl-ethane-1,2-diamine
-
- Inchi： 1S/C7H11BrN4/c1-9-2-3-10-7-11-4-6(8)5-12-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)
- InChI Key： VACDENJMSGOBGB-UHFFFAOYSA-N
- SMILES： BrC1C=NC(=NC=1)NCCNC
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 114
- Topological Polar Surface Area: 49.8
1,2-Ethanediamine, N1-(5-bromo-2-pyrimidinyl)-N2-methyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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