4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid

C9H10N2O3 — CID 82401455

IUPAC4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid
SMILESCc1cc(C(=O)CCC(=O)O)ncn1
InChIInChI=1S/C9H10N2O3/c1-6-4-7(11-5-10-6)8(12)2-3-9(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyOIQWBEIRYKKUGO-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.83
Rot. Bonds4

About 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid

4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid (PubChem CID 82401455) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid
PubChem CID82401455
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid
SMILESCc1cc(C(=O)CCC(=O)O)ncn1
InChIInChI=1S/C9H10N2O3/c1-6-4-7(11-5-10-6)8(12)2-3-9(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyOIQWBEIRYKKUGO-UHFFFAOYSA-N
XLogP0.83
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic 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-methylpyrimidin-4-yl)-3-oxopropanal
CID 55266139
2-bromo-1-(6-methylpyrimidin-4-yl)ethanone
CID 160890814
4-[4-(4-chlorophenyl)-2-pyridinyl]-4-oxobutanoic acid
CID 153093605
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
1-hydroxy-4,4-dimethyl-1-(6-methylpyrimidin-4-yl)pent-1-en-3-one
CID 154007427
N'-acetyl-6-methylpyrimidine-4-carbohydrazide
CID 142352273
N-methoxy-N,6-dimethylpyrimidine-4-carboxamide
CID 121395327
4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid
CID 110836313
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
4-(5-methyl-1,3-thiazol-2-yl)-4-oxobutanoic acid
CID 58514957
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
4-(4-methyl-1,3-oxazol-2-yl)-4-oxobutanoic acid
CID 82407415

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid (CID 82401455) is 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid is Cc1cc(C(=O)CCC(=O)O)ncn1.
What is the InChIKey of 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid?
The InChIKey is OIQWBEIRYKKUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-4-7(11-5-10-6)8(12)2-3-9(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid?
4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid is sourced from PubChem (CID 82401455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).