6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one

C13H15N3O — CID 83850282

IUPAC6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(C(C)N)[nH]c(=O)n2)cc1
InChIInChI=1S/C13H15N3O/c1-8-3-5-10(6-4-8)12-7-11(9(2)14)15-13(17)16-12/h3-7,9H,14H2,1-2H3,(H,15,16,17)
InChIKeyRSGITFHNSYMAGB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds2

About 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one

6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one (PubChem CID 83850282) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one
PubChem CID83850282
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(C(C)N)[nH]c(=O)n2)cc1
InChIInChI=1S/C13H15N3O/c1-8-3-5-10(6-4-8)12-7-11(9(2)14)15-13(17)16-12/h3-7,9H,14H2,1-2H3,(H,15,16,17)
InChIKeyRSGITFHNSYMAGB-UHFFFAOYSA-N
XLogP1.77
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-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 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one (CID 83850282) is 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one is Cc1ccc(-c2cc(C(C)N)[nH]c(=O)n2)cc1.
What is the InChIKey of 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one?
The InChIKey is RSGITFHNSYMAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-3-5-10(6-4-8)12-7-11(9(2)14)15-13(17)16-12/h3-7,9H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one?
6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83850282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).