2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one

C15H17N3O2 — CID 136973941

IUPAC2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(O)c2ccccc2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H17N3O2/c19-12(10-4-2-1-3-5-10)9-16-13-8-14(20)18-15(17-13)11-6-7-11/h1-5,8,11-12,19H,6-7,9H2,(H2,16,17,18,20)
InChIKeyZAFDKLYLHZHMID-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.79
Rot. Bonds5

About 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973941) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136973941
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(O)c2ccccc2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H17N3O2/c19-12(10-4-2-1-3-5-10)9-16-13-8-14(20)18-15(17-13)11-6-7-11/h1-5,8,11-12,19H,6-7,9H2,(H2,16,17,18,20)
InChIKeyZAFDKLYLHZHMID-UHFFFAOYSA-N
XLogP1.79
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-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

5-ethanimidoyl-4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 145199250
2-[[2-(3-Fluorophenyl)-2-hydroxyethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 75405523
2-cyclopropyl-6-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136558931
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 136759276
2-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136802069
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 136920433
4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 146140445
4-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 154785979
2-cyclopropyl-N-[1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154842352
(2S)-2-hydroxy-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-2-phenylacetamide
CID 136015612
2-(2,3-Dihydropyridin-6-ylamino)-1-phenylethanol
CID 70882680
4-[(2-hydroxy-2-phenylethyl)-methylamino]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 139421318

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one (CID 136973941) is 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one is O=c1cc(NCC(O)c2ccccc2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZAFDKLYLHZHMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-12(10-4-2-1-3-5-10)9-16-13-8-14(20)18-15(17-13)11-6-7-11/h1-5,8,11-12,19H,6-7,9H2,(H2,16,17,18,20).
What are the key properties of 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 271.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).