3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one

C16H14N2O2 — CID 63769203

IUPAC3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O2/c19-15(10-18-11-17-8-7-16(18)20)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,15,19H,10H2
InChIKeyZAFCFSJACJJPJU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one

3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one (PubChem CID 63769203) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
PubChem CID63769203
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O2/c19-15(10-18-11-17-8-7-16(18)20)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,15,19H,10H2
InChIKeyZAFCFSJACJJPJU-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyrimidin-4-one
CID 63769047
2-(2-hydroxy-2-naphthalen-2-ylethyl)pyridazin-3-one
CID 62849976
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
CID 62963596
1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
CID 80580603
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069
3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 63770409
3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
CID 63767954
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
3-[2-amino-2-(3,4-difluorophenyl)ethyl]pyrimidin-4-one
CID 107522672
3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
CID 63905590
3-(6-oxopyrimidin-1-yl)-2-phenylpropanenitrile
CID 64536564

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one (CID 63769203) is 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one is O=c1ccncn1CC(O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one?
The InChIKey is ZAFCFSJACJJPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15(10-18-11-17-8-7-16(18)20)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,15,19H,10H2.
What are the key properties of 3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one?
3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.13, 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-naphthalen-2-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 63769203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).