6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 80962707

IUPAC6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)C(C)C2)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-10(2)16-18-14(17-5)9-15(19-16)20-13-7-6-11(3)12(4)8-13/h9-13H,6-8H2,1-5H3,(H,17,18,19)
InChIKeySMKYAARKJJQRDQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds4

About 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80962707) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80962707
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)C(C)C2)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-10(2)16-18-14(17-5)9-15(19-16)20-13-7-6-11(3)12(4)8-13/h9-13H,6-8H2,1-5H3,(H,17,18,19)
InChIKeySMKYAARKJJQRDQ-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80962707) is 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(OC2CCC(C)C(C)C2)nc(C(C)C)n1.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is SMKYAARKJJQRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)16-18-14(17-5)9-15(19-16)20-13-7-6-11(3)12(4)8-13/h9-13H,6-8H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80962707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).