2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine

C17H29N3O — CID 116775938

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCOC1(c2nc(CC)cc(NC)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H29N3O/c1-6-13-12-14(18-5)20-15(19-13)17(21-7-2)10-8-16(3,4)9-11-17/h12H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyCUZSEQDTDHYCHL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.91
Rot. Bonds5

About 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine

2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 116775938) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID116775938
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCOC1(c2nc(CC)cc(NC)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H29N3O/c1-6-13-12-14(18-5)20-15(19-13)17(21-7-2)10-8-16(3,4)9-11-17/h12H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyCUZSEQDTDHYCHL-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-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-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778389
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628
[2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116777739
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116777542
4-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527106
(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431253
2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742957
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
[6-ethyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777579
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine (CID 116775938) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine is CCOC1(c2nc(CC)cc(NC)n2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is CUZSEQDTDHYCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-13-12-14(18-5)20-15(19-13)17(21-7-2)10-8-16(3,4)9-11-17/h12H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116775938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).