2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid

C10H16N4O3 — CID 110187880

IUPAC2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid
SMILESCc1cc(=O)n(CCCC(N)C(=O)O)c(N)n1
InChIInChI=1S/C10H16N4O3/c1-6-5-8(15)14(10(12)13-6)4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H2,12,13)(H,16,17)
InChIKeyYYUYKEDRNLRBGC-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.67
Rot. Bonds5

About 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid

2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid (PubChem CID 110187880) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid
PubChem CID110187880
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid
SMILESCc1cc(=O)n(CCCC(N)C(=O)O)c(N)n1
InChIInChI=1S/C10H16N4O3/c1-6-5-8(15)14(10(12)13-6)4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H2,12,13)(H,16,17)
InChIKeyYYUYKEDRNLRBGC-UHFFFAOYSA-N
XLogP-0.67
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic 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 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid (CID 110187880) is 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid is Cc1cc(=O)n(CCCC(N)C(=O)O)c(N)n1.
What is the InChIKey of 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
The InChIKey is YYUYKEDRNLRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-5-8(15)14(10(12)13-6)4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H2,12,13)(H,16,17).
What are the key properties of 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-amino-4-methyl-6-oxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 110187880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).