4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

C12H11ClN2O3 — CID 53421477

IUPAC4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C12H11ClN2O3/c1-6-9(11(16)17)10(15-12(18)14-6)7-2-4-8(13)5-3-7/h2-5,10H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFAPUYTJXPPOQCI-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.05
Rot. Bonds2

About 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 53421477) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
PubChem CID53421477
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C12H11ClN2O3/c1-6-9(11(16)17)10(15-12(18)14-6)7-2-4-8(13)5-3-7/h2-5,10H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFAPUYTJXPPOQCI-UHFFFAOYSA-N
XLogP2.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (CID 53421477) is 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid is CC1=C(C(=O)O)C(c2ccc(Cl)cc2)NC(=O)N1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The InChIKey is FAPUYTJXPPOQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-6-9(11(16)17)10(15-12(18)14-6)7-2-4-8(13)5-3-7/h2-5,10H,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53421477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).