2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid

C9H12N2O3 — CID 139654300

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1nc(C)c(C(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-4(9(13)14)7-5(2)10-6(3)11-8(7)12/h4H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyKUHBZUBRMYDBKE-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.57
Rot. Bonds2

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 139654300) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID139654300
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1nc(C)c(C(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-4(9(13)14)7-5(2)10-6(3)11-8(7)12/h4H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyKUHBZUBRMYDBKE-UHFFFAOYSA-N
XLogP0.57
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic 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

(2,6-Dimethyl-4-oxo-1,4-dihydropyrimidin-5-yl)acetic acid
CID 135399116
2-[2-methyl-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]butanoic acid
CID 136475705
2-[2-methyl-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136475738
ethyl (2,6-dimethyl-3H-pyrimidin-4-on-5yl)acetate
CID 135459178
5-(2-hydroxyethyl)-2,6-dimethyl-1H-pyrimidin-4-one
CID 135459367
2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136055366
2-[4-methyl-6-oxo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-5-yl]acetic acid
CID 136283600
2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 19014326
methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 136140189
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)butanoic acid
CID 136160068
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 136199704
2-Ethyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
CID 136219449

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid (CID 139654300) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid is Cc1nc(C)c(C(C)C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is KUHBZUBRMYDBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4(9(13)14)7-5(2)10-6(3)11-8(7)12/h4H,1-3H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 139654300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).