2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine

C13H22N4 — CID 80772502

IUPAC2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCC(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-9-4-6-11(7-5-9)16-12-8-10(2)15-13(14-3)17-12/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyZGFRLNBLLPOUOO-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.82
Rot. Bonds3

About 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 80772502) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID80772502
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCC(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-9-4-6-11(7-5-9)16-12-8-10(2)15-13(14-3)17-12/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyZGFRLNBLLPOUOO-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371
4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80835388
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856009
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114566037
2-N,6-dimethyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
CID 80848684
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (CID 80772502) is 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is CNc1nc(C)cc(NC2CCC(C)CC2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is ZGFRLNBLLPOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-4-6-11(7-5-9)16-12-8-10(2)15-13(14-3)17-12/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80772502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).