4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine

C15H17ClN4 — CID 112907619

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(NC2CC2)n1
InChIInChI=1S/C15H17ClN4/c1-9-3-4-12(8-13(9)16)18-14-7-10(2)17-15(20-14)19-11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyFKISTPRIODJMRX-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.06
Rot. Bonds4

About 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine

4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112907619) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
PubChem CID112907619
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(NC2CC2)n1
InChIInChI=1S/C15H17ClN4/c1-9-3-4-12(8-13(9)16)18-14-7-10(2)17-15(20-14)19-11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyFKISTPRIODJMRX-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907475
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930110
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893
5-N-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
2-N-butan-2-yl-4-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909155
4-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194251
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113
2-N-cyclopentyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112909930

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine (CID 112907619) is 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(C)c(Cl)c2)nc(NC2CC2)n1.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is FKISTPRIODJMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-9-3-4-12(8-13(9)16)18-14-7-10(2)17-15(20-14)19-11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine?
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 288.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).