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

C11H17N3O4 — CID 136958726

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCOc1c(NC(C)(C)CCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-11(2,5-4-7(15)16)14-9-8(18-3)10(17)13-6-12-9/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHLFPMULCACWEJR-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.83
Rot. Bonds6

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

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (PubChem CID 136958726) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
PubChem CID136958726
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCOc1c(NC(C)(C)CCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-11(2,5-4-7(15)16)14-9-8(18-3)10(17)13-6-12-9/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHLFPMULCACWEJR-UHFFFAOYSA-N
XLogP0.83
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(5-methoxy-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 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (CID 136958726) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is COc1c(NC(C)(C)CCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The InChIKey is HLFPMULCACWEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,5-4-7(15)16)14-9-8(18-3)10(17)13-6-12-9/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 136958726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).