2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

C17H21ClN4 — CID 112910433

IUPAC2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4/c1-12-11-16(20-14-5-3-2-4-6-14)22-17(19-12)21-15-9-7-13(18)8-10-15/h7-11,14H,2-6H2,1H3,(H2,19,20,21,22)
InChIKeyHFRTUAFSMNFSCH-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.93
Rot. Bonds4

About 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112910433) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
PubChem CID112910433
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4/c1-12-11-16(20-14-5-3-2-4-6-14)22-17(19-12)21-15-9-7-13(18)8-10-15/h7-11,14H,2-6H2,1H3,(H2,19,20,21,22)
InChIKeyHFRTUAFSMNFSCH-UHFFFAOYSA-N
XLogP4.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907475
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
2-N-(5-chloro-2-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907473
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (CID 112910433) is 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is HFRTUAFSMNFSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12-11-16(20-14-5-3-2-4-6-14)22-17(19-12)21-15-9-7-13(18)8-10-15/h7-11,14H,2-6H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 316.84 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).