2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine

C18H29N3O — CID 82458345

IUPAC2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCCCC2C)nc(C2CCCCC2)n1
InChIInChI=1S/C18H29N3O/c1-13-8-6-7-11-15(13)19-16-12-17(22-2)21-18(20-16)14-9-4-3-5-10-14/h12-15H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyARXOQIORIWAENS-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.52
Rot. Bonds4

About 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine

2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 82458345) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
PubChem CID82458345
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCCCC2C)nc(C2CCCCC2)n1
InChIInChI=1S/C18H29N3O/c1-13-8-6-7-11-15(13)19-16-12-17(22-2)21-18(20-16)14-9-4-3-5-10-14/h12-15H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyARXOQIORIWAENS-UHFFFAOYSA-N
XLogP4.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 82453766
2-cyclopropyl-6-N-methyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959584
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 82458360
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095
6-methoxy-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 113286375
methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
CID 66285279
(2-cyclopentyl-6-methoxypyrimidin-4-yl)methanamine
CID 83852183
6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80925560
6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 82453955

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine (CID 82458345) is 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine is COc1cc(NC2CCCCC2C)nc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is ARXOQIORIWAENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13-8-6-7-11-15(13)19-16-12-17(22-2)21-18(20-16)14-9-4-3-5-10-14/h12-15H,3-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine?
2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 82458345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).