2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine

C16H27N3O — CID 82458360

IUPAC2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCOc1cc(NCCC(C)C)nc(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12(2)9-10-17-14-11-15(20-3)19-16(18-14)13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyFOKJYEHLVCBRSO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.99
Rot. Bonds6

About 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine

2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 82458360) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID82458360
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCOc1cc(NCCC(C)C)nc(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12(2)9-10-17-14-11-15(20-3)19-16(18-14)13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyFOKJYEHLVCBRSO-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362
N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456372
2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458482
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 82458345
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
(2-cyclopentyl-6-methoxypyrimidin-4-yl)methanamine
CID 83852183

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine (CID 82458360) is 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine is COc1cc(NCCC(C)C)nc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is FOKJYEHLVCBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)9-10-17-14-11-15(20-3)19-16(18-14)13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine?
2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.99, 6 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-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 82458360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).