6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine

C16H27N3O — CID 103967188

IUPAC6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
SMILESCOc1cc(NC2CC(C)(C)CC(C)(C)C2)nc(C)n1
InChIInChI=1S/C16H27N3O/c1-11-17-13(7-14(18-11)20-6)19-12-8-15(2,3)10-16(4,5)9-12/h7,12H,8-10H2,1-6H3,(H,17,18,19)
InChIKeyGJOAPBCLSORNOH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds3

About 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine

6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine (PubChem CID 103967188) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
PubChem CID103967188
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
SMILESCOc1cc(NC2CC(C)(C)CC(C)(C)C2)nc(C)n1
InChIInChI=1S/C16H27N3O/c1-11-17-13(7-14(18-11)20-6)19-12-8-15(2,3)10-16(4,5)9-12/h7,12H,8-10H2,1-6H3,(H,17,18,19)
InChIKeyGJOAPBCLSORNOH-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethylcyclohexyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66327750
N-(azetidin-3-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66331245
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 66326324
6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123922
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
6-methoxy-2-methyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 66326081
2-methyl-6-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82453995
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095
2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82456357
4-methoxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998881
N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
N-(3,3-dimethylcyclobutyl)-4-methylpyridin-2-amine
CID 131047920

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine (CID 103967188) is 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine is COc1cc(NC2CC(C)(C)CC(C)(C)C2)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is GJOAPBCLSORNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-17-13(7-14(18-11)20-6)19-12-8-15(2,3)10-16(4,5)9-12/h7,12H,8-10H2,1-6H3,(H,17,18,19).
What are the key properties of 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 103967188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).