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

C14H24N4 — CID 80835388

IUPAC4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCC(C)CC2C)n1
InChIInChI=1S/C14H24N4/c1-9-5-6-12(10(2)7-9)17-13-8-11(3)16-14(15-4)18-13/h8-10,12H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyDZARRVURKSIOHK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.06
Rot. Bonds3

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

4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80835388) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80835388
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCC(C)CC2C)n1
InChIInChI=1S/C14H24N4/c1-9-5-6-12(10(2)7-9)17-13-8-11(3)16-14(15-4)18-13/h8-10,12H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyDZARRVURKSIOHK-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80772502
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856009
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80911652
4-N-(2,4-dimethylcyclohexyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835182
2-hydrazinyl-6-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80944363
N-(2,4-dimethylcyclohexyl)-5-methylpyridin-2-amine
CID 63994524
2-fluoro-6-methyl-N-(2-methylcyclobutyl)pyrimidin-4-amine
CID 164645816
N-(2,4-dimethylcyclohexyl)-6-hydrazinylpyridin-2-amine
CID 80911809
2-N,6-dimethyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
CID 80848684
4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80935219
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80835388) is 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NC2CCC(C)CC2C)n1.
What is the InChIKey of 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is DZARRVURKSIOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9-5-6-12(10(2)7-9)17-13-8-11(3)16-14(15-4)18-13/h8-10,12H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(2,4-dimethylcyclohexyl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.06, 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)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80835388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).