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

C7H10N2O3 — CID 123251912

IUPAC1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)CN(C)C1=O
InChIInChI=1S/C7H10N2O3/c1-8-3-5(6(10)11)4-9(2)7(8)12/h3H,4H2,1-2H3,(H,10,11)
InChIKeyGBYIHMMDNUKWSK-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.05
Rot. Bonds1

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

1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid (PubChem CID 123251912) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid
PubChem CID123251912
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)CN(C)C1=O
InChIInChI=1S/C7H10N2O3/c1-8-3-5(6(10)11)4-9(2)7(8)12/h3H,4H2,1-2H3,(H,10,11)
InChIKeyGBYIHMMDNUKWSK-UHFFFAOYSA-N
XLogP-0.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-methoxy-2-oxoethyl)-2-oxo-3H-pyrrole-4-carboxylic acid
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1,3-dimethylimidazolidin-2-one;hydrate
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1-methyl-6-methylidenepyridine-3-carboxylic acid
CID 146916186
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CID 62273798
1,4-dimethyl-2H-pyridine-3-carboxylic acid
CID 70630438
6-methyl-4H-pyridine-1,3-dicarboxylic acid
CID 150745549
2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64693902
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid (CID 123251912) is 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid is CN1C=C(C(=O)O)CN(C)C1=O.
What is the InChIKey of 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid?
The InChIKey is GBYIHMMDNUKWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-3-5(6(10)11)4-9(2)7(8)12/h3H,4H2,1-2H3,(H,10,11).
What are the key properties of 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid?
1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 123251912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).