6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine

C17H14ClF2N5 — CID 22545479

IUPAC6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
SMILESCc1c(Cl)cccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C17H14ClF2N5/c1-9-11(18)3-2-4-13(9)24-16-15(21)17(23-8-22-16)25-14-6-5-10(19)7-12(14)20/h2-8H,21H2,1H3,(H2,22,23,24,25)
InChIKeyGWEZOEJARKZIOC-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.79
Rot. Bonds4

About 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine

6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 22545479) has the molecular formula C17H14ClF2N5 and a molecular weight of 361.78 g/mol. Its IUPAC name is 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID22545479
Molecular FormulaC17H14ClF2N5
Molecular Weight361.78 g/mol
Exact Mass361.09
IUPAC Name6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
SMILESCc1c(Cl)cccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C17H14ClF2N5/c1-9-11(18)3-2-4-13(9)24-16-15(21)17(23-8-22-16)25-14-6-5-10(19)7-12(14)20/h2-8H,21H2,1H3,(H2,22,23,24,25)
InChIKeyGWEZOEJARKZIOC-UHFFFAOYSA-N
XLogP4.79
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine
CID 110434586
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19153374
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19150226
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 22545323
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
ethyl 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19153895

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine (CID 22545479) is 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine is Cc1c(Cl)cccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N.
What is the InChIKey of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is GWEZOEJARKZIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5/c1-9-11(18)3-2-4-13(9)24-16-15(21)17(23-8-22-16)25-14-6-5-10(19)7-12(14)20/h2-8H,21H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 361.78 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).