2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one

C12H12ClN3O — CID 135407971

IUPAC2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c1-2-9-10(11(17)16-12(14)15-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H3,14,15,16,17)
InChIKeyKTEOTBKBKDEYDF-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one

2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135407971) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID135407971
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c1-2-9-10(11(17)16-12(14)15-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H3,14,15,16,17)
InChIKeyKTEOTBKBKDEYDF-UHFFFAOYSA-N
XLogP2.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-(4-chlorophenyl)-4-ethyl-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 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one (CID 135407971) is 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one is CCc1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is KTEOTBKBKDEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-2-9-10(11(17)16-12(14)15-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 249.70 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135407971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).