2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid

C10H14N4O3 — CID 136959032

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid
SMILESCC(Nc1nc[nH]c(=O)c1N)(C(=O)O)C1CC1
InChIInChI=1S/C10H14N4O3/c1-10(9(16)17,5-2-3-5)14-7-6(11)8(15)13-4-12-7/h4-5H,2-3,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyXRIJEWISKGJXSS-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.02
Rot. Bonds4

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid (PubChem CID 136959032) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid
PubChem CID136959032
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid
SMILESCC(Nc1nc[nH]c(=O)c1N)(C(=O)O)C1CC1
InChIInChI=1S/C10H14N4O3/c1-10(9(16)17,5-2-3-5)14-7-6(11)8(15)13-4-12-7/h4-5H,2-3,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyXRIJEWISKGJXSS-UHFFFAOYSA-N
XLogP0.02
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic 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-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958465
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958470
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958605
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958669
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958721
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid
CID 136958785
2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959033
2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136959082
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 136959112
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136959282

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid (CID 136959032) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid is CC(Nc1nc[nH]c(=O)c1N)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is XRIJEWISKGJXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-10(9(16)17,5-2-3-5)14-7-6(11)8(15)13-4-12-7/h4-5H,2-3,11H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 238.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 136959032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).