3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid

C6H8N2O3 — CID 123557230

IUPAC3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid
SMILESCN1CC(C(=O)O)C=NC1=O
InChIInChI=1S/C6H8N2O3/c1-8-3-4(5(9)10)2-7-6(8)11/h2,4H,3H2,1H3,(H,9,10)
InChIKeyRYDGSQAPETVXPP-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.18
Rot. Bonds1

About 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid

3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid (PubChem CID 123557230) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid
PubChem CID123557230
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid
SMILESCN1CC(C(=O)O)C=NC1=O
InChIInChI=1S/C6H8N2O3/c1-8-3-4(5(9)10)2-7-6(8)11/h2,4H,3H2,1H3,(H,9,10)
InChIKeyRYDGSQAPETVXPP-UHFFFAOYSA-N
XLogP-0.18
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-2,4-dihydropyrimidine-5-carboxylic acid
CID 68577258
3,5,6,8a-Tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 90942396
2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
CID 91550656
6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid
CID 71303373
1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-carboxylic acid
CID 73165154
1-methyl-2,6-dioxo-5H-pyrimidine-5-carboxylic acid
CID 78174624

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid (CID 123557230) is 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid is CN1CC(C(=O)O)C=NC1=O.
What is the InChIKey of 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
The InChIKey is RYDGSQAPETVXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-8-3-4(5(9)10)2-7-6(8)11/h2,4H,3H2,1H3,(H,9,10).
What are the key properties of 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid is sourced from PubChem (CID 123557230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).