3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid

C10H16N4O3 — CID 136972317

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-5(2)6(3-7(15)16)14-9-8(11)10(17)13-4-12-9/h4-6H,3,11H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJKZXUTKRSRTRBR-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.26
Rot. Bonds5

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (PubChem CID 136972317) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
PubChem CID136972317
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-5(2)6(3-7(15)16)14-9-8(11)10(17)13-4-12-9/h4-6H,3,11H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJKZXUTKRSRTRBR-UHFFFAOYSA-N
XLogP0.26
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (CID 136972317) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is CC(C)C(CC(=O)O)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The InChIKey is JKZXUTKRSRTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(2)6(3-7(15)16)14-9-8(11)10(17)13-4-12-9/h4-6H,3,11H2,1-2H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 136972317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).