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

C19H26N4 — CID 112910587

IUPAC2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H26N4/c1-13-9-10-17(14(2)11-13)22-18-12-15(3)20-19(23-18)21-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H2,20,21,22,23)
InChIKeyOBZNAVUWSVNXCB-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.89
Rot. Bonds4

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

2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112910587) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112910587
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H26N4/c1-13-9-10-17(14(2)11-13)22-18-12-15(3)20-19(23-18)21-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H2,20,21,22,23)
InChIKeyOBZNAVUWSVNXCB-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-cyclopentyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909873
4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910414
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
2-[[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194569
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112910660
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112854769
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-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919930

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112910587) is 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)c(C)c1.
What is the InChIKey of 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is OBZNAVUWSVNXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-13-9-10-17(14(2)11-13)22-18-12-15(3)20-19(23-18)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 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-cyclohexyl-4-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 2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).