3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one

C12H12N2O2 — CID 63769900

IUPAC3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11(10-4-2-1-3-5-10)8-14-9-13-7-6-12(14)16/h1-7,9,11,15H,8H2
InChIKeyUGPHOULJZKKLLA-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.98
Rot. Bonds3

About 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one

3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one (PubChem CID 63769900) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
PubChem CID63769900
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11(10-4-2-1-3-5-10)8-14-9-13-7-6-12(14)16/h1-7,9,11,15H,8H2
InChIKeyUGPHOULJZKKLLA-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
CID 63769203
3-(6-oxopyrimidin-1-yl)-2-phenylpropanenitrile
CID 64536564
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069
3-(2-hydroxybutyl)pyrimidin-4-one
CID 63770070
3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
CID 63905590
3-[2-amino-2-(2-methylphenyl)ethyl]pyrimidin-4-one
CID 63768478
3-(2-phenylethyl)pyrimidin-4-one
CID 68623942
3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 63770409
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
3-[2-amino-2-(4-tert-butylphenyl)ethyl]pyrimidin-4-one
CID 63767962

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one (CID 63769900) is 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one is O=c1ccncn1CC(O)c1ccccc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one?
The InChIKey is UGPHOULJZKKLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(10-4-2-1-3-5-10)8-14-9-13-7-6-12(14)16/h1-7,9,11,15H,8H2.
What are the key properties of 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one?
3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one has a molecular weight of 216.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 63769900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).