2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid

C7H8N2O3 — CID 135984113

IUPAC2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESCc1cc(=O)[nH]c(CC(=O)O)n1
InChIInChI=1S/C7H8N2O3/c1-4-2-6(10)9-5(8-4)3-7(11)12/h2H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyVERHGYDZAPWXSR-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.29
Rot. Bonds2

About 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid (PubChem CID 135984113) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
PubChem CID135984113
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESCc1cc(=O)[nH]c(CC(=O)O)n1
InChIInChI=1S/C7H8N2O3/c1-4-2-6(10)9-5(8-4)3-7(11)12/h2H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyVERHGYDZAPWXSR-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

Analyze 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)propanoic acid
CID 135604875
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methylamino]propanoic acid
CID 137286215
2-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
CID 136313395
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]acetic acid
CID 136392537
(6-Hydroxy-2-methylpyrimidin-4-yl)acetic acid
CID 135823848
2-(6-Hydroxy-2-isopropylpyrimidin-4-yl)acetic acid
CID 136274631
chloro 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)acetate
CID 136646305
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 137058865
2-(4-Chloro-6-hydroxypyrimidin-2-yl)acetic acid
CID 137286708
(4,6-Dihydroxypyrimidin-2-yl)acetic acid
CID 3756925
2-(1,4-Dimethyl-6-oxopyrimidin-2-yl)acetic acid
CID 84658328
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 105440928

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid (CID 135984113) is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid is Cc1cc(=O)[nH]c(CC(=O)O)n1.
What is the InChIKey of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The InChIKey is VERHGYDZAPWXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-2-6(10)9-5(8-4)3-7(11)12/h2H,3H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
2-(4-methyl-6-oxo-1H-pyrimidin-2-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-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 135984113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).