5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione

C14H15ClN2O4 — CID 115946316

IUPAC5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
SMILESCOCC(C)n1c(O)c(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15ClN2O4/c1-8(7-21-2)17-13(19)11(12(18)16-14(17)20)9-3-5-10(15)6-4-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20)
InChIKeyVFSFOMGYMMMSBI-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.77
Rot. Bonds4

About 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione

5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione (PubChem CID 115946316) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
PubChem CID115946316
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
SMILESCOCC(C)n1c(O)c(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15ClN2O4/c1-8(7-21-2)17-13(19)11(12(18)16-14(17)20)9-3-5-10(15)6-4-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20)
InChIKeyVFSFOMGYMMMSBI-UHFFFAOYSA-N
XLogP1.77
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione 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-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962
5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 115946019
6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
CID 115946369
3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
CID 10442968
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840
5-(4-chlorophenyl)-4-hydroxy-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 79438649
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
CID 112601033
5-(4-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705970
5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 79442327
3-(1-methoxypropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82781664
6-chloro-7-(4-fluorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58565321

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione (CID 115946316) is 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione is COCC(C)n1c(O)c(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
The InChIKey is VFSFOMGYMMMSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-8(7-21-2)17-13(19)11(12(18)16-14(17)20)9-3-5-10(15)6-4-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20).
What are the key properties of 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione has a molecular weight of 310.74 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).