4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine

C18H24N4 — CID 112869053

IUPAC4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H24N4/c1-13-8-10-16(11-9-13)22-18-12-17(19-14(2)20-18)21-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,19,20,21,22)
InChIKeyFXPRQJKGZLFBHV-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.58
Rot. Bonds4

About 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine

4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112869053) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112869053
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H24N4/c1-13-8-10-16(11-9-13)22-18-12-17(19-14(2)20-18)21-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,19,20,21,22)
InChIKeyFXPRQJKGZLFBHV-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193209
methyl 4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876057
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112867629
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
3-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112868777
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
N-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,5-difluorobenzenesulfonamide
CID 50753160
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 112869053) is 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NC3CCCCC3)nc(C)n2)cc1.
What is the InChIKey of 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is FXPRQJKGZLFBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-8-10-16(11-9-13)22-18-12-17(19-14(2)20-18)21-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.58, 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-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112869053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).