2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid

C6H8N2O3 — CID 58230450

IUPAC2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1NC=C(C(=O)O)C(=O)N1
InChIInChI=1S/C6H8N2O3/c1-3-7-2-4(6(10)11)5(9)8-3/h2-3,7H,1H3,(H,8,9)(H,10,11)
InChIKeyHBRRIXKDJFUJSY-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.98
Rot. Bonds1

About 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid

2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 58230450) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid
PubChem CID58230450
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1NC=C(C(=O)O)C(=O)N1
InChIInChI=1S/C6H8N2O3/c1-3-7-2-4(6(10)11)5(9)8-3/h2-3,7H,1H3,(H,8,9)(H,10,11)
InChIKeyHBRRIXKDJFUJSY-UHFFFAOYSA-N
XLogP-0.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid (CID 58230450) is 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid is CC1NC=C(C(=O)O)C(=O)N1.
What is the InChIKey of 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid?
The InChIKey is HBRRIXKDJFUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-7-2-4(6(10)11)5(9)8-3/h2-3,7H,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid?
2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 58230450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).