2-(acetamidomethyl)pyrimidine-4-carboxylic acid

C8H9N3O3 — CID 84665880

IUPAC2-(acetamidomethyl)pyrimidine-4-carboxylic acid
SMILESCC(=O)NCc1nccc(C(=O)O)n1
InChIInChI=1S/C8H9N3O3/c1-5(12)10-4-7-9-3-2-6(11-7)8(13)14/h2-3H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyWZVCXDGRPKTSBJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.19
Rot. Bonds3

About 2-(acetamidomethyl)pyrimidine-4-carboxylic acid

2-(acetamidomethyl)pyrimidine-4-carboxylic acid (PubChem CID 84665880) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(acetamidomethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(acetamidomethyl)pyrimidine-4-carboxylic acid
PubChem CID84665880
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-(acetamidomethyl)pyrimidine-4-carboxylic acid
SMILESCC(=O)NCc1nccc(C(=O)O)n1
InChIInChI=1S/C8H9N3O3/c1-5(12)10-4-7-9-3-2-6(11-7)8(13)14/h2-3H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyWZVCXDGRPKTSBJ-UHFFFAOYSA-N
XLogP-0.19
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(acetamidomethyl)pyrimidine-4-carboxylic 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-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
CID 167956665
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-[(3,4-dichlorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 55114826
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
N-(isoquinolin-1-ylmethyl)acetamide
CID 20717922
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2-[[(2-acetamidoacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380091
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(acetamidomethyl)pyrimidine-4-carboxylic acid (CID 84665880) is 2-(acetamidomethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(acetamidomethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(acetamidomethyl)pyrimidine-4-carboxylic acid is CC(=O)NCc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(acetamidomethyl)pyrimidine-4-carboxylic acid?
The InChIKey is WZVCXDGRPKTSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5(12)10-4-7-9-3-2-6(11-7)8(13)14/h2-3H,4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-(acetamidomethyl)pyrimidine-4-carboxylic acid?
2-(acetamidomethyl)pyrimidine-4-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 84665880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).