2-(2-phenylethylamino)-1H-pyrimidin-6-one

C12H13N3O — CID 728246

IUPAC2-(2-phenylethylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NCCc2ccccc2)[nH]1
InChIInChI=1S/C12H13N3O/c16-11-7-9-14-12(15-11)13-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H2,13,14,15,16)
InChIKeyGYTTWOQVSQQXBS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.42
Rot. Bonds4

About 2-(2-phenylethylamino)-1H-pyrimidin-6-one

2-(2-phenylethylamino)-1H-pyrimidin-6-one (PubChem CID 728246) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(2-phenylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-phenylethylamino)-1H-pyrimidin-6-one
PubChem CID728246
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(2-phenylethylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NCCc2ccccc2)[nH]1
InChIInChI=1S/C12H13N3O/c16-11-7-9-14-12(15-11)13-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H2,13,14,15,16)
InChIKeyGYTTWOQVSQQXBS-UHFFFAOYSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-phenylethylamino)-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

Related Compounds

6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 309844
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654
5-Phenylpyrimidin-4-ol
CID 211147
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
CID 308653
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025746
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-phenylethylamino)-1H-pyrimidin-6-one (CID 728246) is 2-(2-phenylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-phenylethylamino)-1H-pyrimidin-6-one is O=c1ccnc(NCCc2ccccc2)[nH]1.
What is the InChIKey of 2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The InChIKey is GYTTWOQVSQQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-11-7-9-14-12(15-11)13-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H2,13,14,15,16).
What are the key properties of 2-(2-phenylethylamino)-1H-pyrimidin-6-one?
2-(2-phenylethylamino)-1H-pyrimidin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 728246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).