Cas no 5734-70-3 (2-Pyrimidinamine, 4-chloro-6-methyl-N-propyl-)
5734-70-3 structure
Product Name:2-Pyrimidinamine, 4-chloro-6-methyl-N-propyl-
CAS No:5734-70-3
MF:C8H12ClN3
MW:185.653980255127
CID:1603568
PubChem ID:11830125
Update Time:2025-04-21
2-Pyrimidinamine, 4-chloro-6-methyl-N-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine, 4-chloro-6-methyl-N-propyl-
- 4-chloro-6-methyl-N-propylpyrimidin-2-amine
- DTXSID20474047
- AKOS026737786
- SCHEMBL12963418
- CHEMBL4092029
- 5734-70-3
-
- Inchi： 1S/C8H12ClN3/c1-3-4-10-8-11-6(2)5-7(9)12-8/h5H,3-4H2,1-2H3,(H,10,11,12)
- InChI Key： LVGIYEPPDMHKIZ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C)N=C(N=1)NCCC
Computed Properties
- Exact Mass: 185.07216
- Monoisotopic Mass: 185.0719751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 37.8?2
Experimental Properties
- PSA: 37.81
2-Pyrimidinamine, 4-chloro-6-methyl-N-propyl- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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