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

C19H26N4 — CID 112910414

IUPAC4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H26N4/c1-13-9-10-17(14(2)11-13)22-19-20-15(3)12-18(23-19)21-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H2,20,21,22,23)
InChIKeyRWXZOVNXHQSKJV-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.89
Rot. Bonds4

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

4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112910414) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112910414
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H26N4/c1-13-9-10-17(14(2)11-13)22-19-20-15(3)12-18(23-19)21-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H2,20,21,22,23)
InChIKeyRWXZOVNXHQSKJV-UHFFFAOYSA-N
XLogP4.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910587
2-N-cyclopentyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909873
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112854769
2-N-(5-chloro-2-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907473
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917
4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112909762
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928010

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112910414) is 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1ccc(Nc2nc(C)cc(NC3CCCCC3)n2)c(C)c1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RWXZOVNXHQSKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-13-9-10-17(14(2)11-13)22-19-20-15(3)12-18(23-19)21-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 310.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).