6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione

C15H16N2O4 — CID 29178161

IUPAC6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione
SMILESCCC(=O)C[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O4/c1-2-10(18)8-11(9-6-4-3-5-7-9)12-13(19)16-15(21)17-14(12)20/h3-7,11H,2,8H2,1H3,(H3,16,17,19,20,21)/t11-/m0/s1
InChIKeyVNYPBMSVPQTWFY-NSHDSACASA-N
MW288.30 g/mol
LogP1.27
Rot. Bonds5

About 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione (PubChem CID 29178161) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione
PubChem CID29178161
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione
SMILESCCC(=O)C[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O4/c1-2-10(18)8-11(9-6-4-3-5-7-9)12-13(19)16-15(21)17-14(12)20/h3-7,11H,2,8H2,1H3,(H3,16,17,19,20,21)/t11-/m0/s1
InChIKeyVNYPBMSVPQTWFY-NSHDSACASA-N
XLogP1.27
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

diethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]propanedioate
CID 123807002
1-(2-methylphenyl)-1-phenylpentan-3-one
CID 102348296
sodium;ethanol;bis(4-hydroxy-3-(3-oxo-1-phenylpentyl)chromen-2-one)
CID 126465817
4-oxo-2-phenylhexanoic acid
CID 13284198
ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate
CID 91972743
6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione
CID 127036149
1-ethoxy-1-phenylpentan-3-one
CID 3736570
5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 2836478
6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one
CID 20541693
dibenzyl 2-[(1R)-3-oxo-1-phenylpentyl]propanedioate
CID 101238187
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611
(5R)-6-nitro-5-phenylhexan-3-one
CID 16720921

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione (CID 29178161) is 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione is CCC(=O)C[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VNYPBMSVPQTWFY-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-10(18)8-11(9-6-4-3-5-7-9)12-13(19)16-15(21)17-14(12)20/h3-7,11H,2,8H2,1H3,(H3,16,17,19,20,21)/t11-/m0/s1.
What are the key properties of 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione has a molecular weight of 288.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 29178161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).