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

C12H10Cl2N2O3 — CID 53426134

IUPAC4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)NC(=O)N1
InChIInChI=1S/C12H10Cl2N2O3/c1-5-8(11(17)18)10(16-12(19)15-5)6-3-2-4-7(13)9(6)14/h2-4,10H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUWOGYNXGVKWPLM-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.71
Rot. Bonds2

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

4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 53426134) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
PubChem CID53426134
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)NC(=O)N1
InChIInChI=1S/C12H10Cl2N2O3/c1-5-8(11(17)18)10(16-12(19)15-5)6-3-2-4-7(13)9(6)14/h2-4,10H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUWOGYNXGVKWPLM-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (CID 53426134) is 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid is CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)NC(=O)N1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The InChIKey is UWOGYNXGVKWPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-5-8(11(17)18)10(16-12(19)15-5)6-3-2-4-7(13)9(6)14/h2-4,10H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 301.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53426134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).