3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C8H11N3O3 — CID 136958373

IUPAC3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc(NCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-5-10-6(4-7(12)11-5)9-3-2-8(13)14/h4H,2-3H2,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyUJLJSCIQWVJGID-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.04
Rot. Bonds4

About 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958373) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958373
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc(NCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-5-10-6(4-7(12)11-5)9-3-2-8(13)14/h4H,2-3H2,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyUJLJSCIQWVJGID-UHFFFAOYSA-N
XLogP-0.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]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

N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137015428
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972348
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972300
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805706
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958951
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958373) is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is Cc1nc(NCCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is UJLJSCIQWVJGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5-10-6(4-7(12)11-5)9-3-2-8(13)14/h4H,2-3H2,1H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).