4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine

C13H22N4 — CID 80835182

IUPAC4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC(C)CC2C)ncn1
InChIInChI=1S/C13H22N4/c1-9-4-5-11(10(2)6-9)17-13-7-12(14-3)15-8-16-13/h7-11H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyUVDNBPOJQQINOF-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.75
Rot. Bonds3

About 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80835182) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80835182
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC(C)CC2C)ncn1
InChIInChI=1S/C13H22N4/c1-9-4-5-11(10(2)6-9)17-13-7-12(14-3)15-8-16-13/h7-11H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyUVDNBPOJQQINOF-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N-(2-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80829208
N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972851
4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80835388
2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83265356
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80911652
N-(2,4-dimethylcyclohexyl)-5-methylpyridin-2-amine
CID 63994524
4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80935219
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine
CID 63994723
N-(2,4-dimethylcyclohexyl)quinazolin-4-amine
CID 63994918
4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 86797851
4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80840668

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine (CID 80835182) is 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NC2CCC(C)CC2C)ncn1.
What is the InChIKey of 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is UVDNBPOJQQINOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-4-5-11(10(2)6-9)17-13-7-12(14-3)15-8-16-13/h7-11H,4-6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).