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

C16H27N3O — CID 103967116

IUPAC6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
SMILESCOc1ncnc(NC2CC(C)(C)CC(C)(C)C2)c1C
InChIInChI=1S/C16H27N3O/c1-11-13(17-10-18-14(11)20-6)19-12-7-15(2,3)9-16(4,5)8-12/h10,12H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyXGJRBWAOKCDJQG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds3

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

6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine (PubChem CID 103967116) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
PubChem CID103967116
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
SMILESCOc1ncnc(NC2CC(C)(C)CC(C)(C)C2)c1C
InChIInChI=1S/C16H27N3O/c1-11-13(17-10-18-14(11)20-6)19-12-7-15(2,3)9-16(4,5)8-12/h10,12H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyXGJRBWAOKCDJQG-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine (CID 103967116) is 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine is COc1ncnc(NC2CC(C)(C)CC(C)(C)C2)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is XGJRBWAOKCDJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-13(17-10-18-14(11)20-6)19-12-7-15(2,3)9-16(4,5)8-12/h10,12H,7-9H2,1-6H3,(H,17,18,19).
What are the key properties of 6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine?
6-methoxy-5-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-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 103967116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).