2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 116775657

IUPAC2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(N)cc(C(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H27N3O/c1-11(2)12-10-13(17)19-14(18-12)16(20-5)8-6-15(3,4)7-9-16/h10-11H,6-9H2,1-5H3,(H2,17,18,19)
InChIKeyAOJRRUNAWJWIFS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds3

About 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine

2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116775657) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID116775657
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(N)cc(C(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H27N3O/c1-11(2)12-10-13(17)19-14(18-12)16(20-5)8-6-15(3,4)7-9-16/h10-11H,6-9H2,1-5H3,(H2,17,18,19)
InChIKeyAOJRRUNAWJWIFS-UHFFFAOYSA-N
XLogP3.62
TPSA61.03 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-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

Related Compounds

2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
CID 116775622
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116776150
4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781945
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
2-(1-methoxycyclopentyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104611688
2-(1-methoxycyclohexyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116775977
2-(1-methoxycyclobutyl)pyrimidin-4-amine
CID 116728675
2-(1-methoxycyclopentyl)-6-phenylpyrimidin-4-amine
CID 104611662
2-(1-methoxy-4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775540
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidine
CID 116745761

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine (CID 116775657) is 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine is COC1(c2nc(N)cc(C(C)C)n2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is AOJRRUNAWJWIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)12-10-13(17)19-14(18-12)16(20-5)8-6-15(3,4)7-9-16/h10-11H,6-9H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116775657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).