2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

C7H8N2O3 — CID 83816035

IUPAC2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)ncc1CC(=O)O
InChIInChI=1S/C7H8N2O3/c1-4-5(2-6(10)11)3-8-7(12)9-4/h3H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyQMHLXXXBELSKLH-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.29
Rot. Bonds2

About 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 83816035) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID83816035
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)ncc1CC(=O)O
InChIInChI=1S/C7H8N2O3/c1-4-5(2-6(10)11)3-8-7(12)9-4/h3H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyQMHLXXXBELSKLH-UHFFFAOYSA-N
XLogP-0.29
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-4,6-dimethyl-2-oxo-5-pyrimidineacetic acid
CID 7063871
5,6-Dimethyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16643877
6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 10749609
5-methyl-2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid
CID 81346641
6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81346730
2-(5-methyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 82413431
2-(6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 83817339
3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84658325
2-(6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668331
2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84677645
2-(6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84679167
5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-2-one
CID 115070138

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 83816035) is 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is Cc1[nH]c(=O)ncc1CC(=O)O.
What is the InChIKey of 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is QMHLXXXBELSKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-5(2-6(10)11)3-8-7(12)9-4/h3H,2H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 168.15 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83816035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).