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

C10H16N4O3 — CID 136972335

IUPAC5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(2-3-7(15)16)4-12-9-8(11)10(17)14-5-13-9/h5-6H,2-4,11H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyDVMSCUAHCBSQTN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.26
Rot. Bonds6

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

5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (PubChem CID 136972335) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
PubChem CID136972335
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(2-3-7(15)16)4-12-9-8(11)10(17)14-5-13-9/h5-6H,2-4,11H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyDVMSCUAHCBSQTN-UHFFFAOYSA-N
XLogP0.26
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
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 5-[(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 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (CID 136972335) is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The InChIKey is DVMSCUAHCBSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2-3-7(15)16)4-12-9-8(11)10(17)14-5-13-9/h5-6H,2-4,11H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
5-[(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, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 136972335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).