2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine

C15H25N3O — CID 116779124

IUPAC2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
SMILESCCOC1(c2nccc(CCN)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O/c1-3-19-15(8-4-12(2)5-9-15)14-17-11-7-13(18-14)6-10-16/h7,11-12H,3-6,8-10,16H2,1-2H3
InChIKeyHDPYICNNDHGUJP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine

2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine (PubChem CID 116779124) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
PubChem CID116779124
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
SMILESCCOC1(c2nccc(CCN)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O/c1-3-19-15(8-4-12(2)5-9-15)14-17-11-7-13(18-14)6-10-16/h7,11-12H,3-6,8-10,16H2,1-2H3
InChIKeyHDPYICNNDHGUJP-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine 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

N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778595
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
4-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1,3,5-triazin-2-amine
CID 116781918
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine (CID 116779124) is 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine is CCOC1(c2nccc(CCN)n2)CCC(C)CC1.
What is the InChIKey of 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine?
The InChIKey is HDPYICNNDHGUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-15(8-4-12(2)5-9-15)14-17-11-7-13(18-14)6-10-16/h7,11-12H,3-6,8-10,16H2,1-2H3.
What are the key properties of 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine?
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 116779124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).