4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one

C13H21N3O — CID 174592048

IUPAC4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C2CCCCC2N)nc(C)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-3-9-12(15-8(2)16-13(9)17)10-6-4-5-7-11(10)14/h10-11H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyFZRYWHNTUVQAKS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds2

About 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one

4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one (PubChem CID 174592048) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one
PubChem CID174592048
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C2CCCCC2N)nc(C)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-3-9-12(15-8(2)16-13(9)17)10-6-4-5-7-11(10)14/h10-11H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyFZRYWHNTUVQAKS-UHFFFAOYSA-N
XLogP1.63
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one 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 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one (CID 174592048) is 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one is CCc1c(C2CCCCC2N)nc(C)[nH]c1=O.
What is the InChIKey of 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FZRYWHNTUVQAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-9-12(15-8(2)16-13(9)17)10-6-4-5-7-11(10)14/h10-11H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one?
4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 174592048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).