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

C8H10N4O4 — CID 135577455

IUPAC4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid
SMILESNc1nc[nH]c(=O)c1NC(=O)CCC(=O)O
InChIInChI=1S/C8H10N4O4/c9-7-6(8(16)11-3-10-7)12-4(13)1-2-5(14)15/h3H,1-2H2,(H,12,13)(H,14,15)(H3,9,10,11,16)
InChIKeyBRHOWOMWOBJRFJ-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.84
Rot. Bonds4

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

4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid (PubChem CID 135577455) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid
PubChem CID135577455
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid
SMILESNc1nc[nH]c(=O)c1NC(=O)CCC(=O)O
InChIInChI=1S/C8H10N4O4/c9-7-6(8(16)11-3-10-7)12-4(13)1-2-5(14)15/h3H,1-2H2,(H,12,13)(H,14,15)(H3,9,10,11,16)
InChIKeyBRHOWOMWOBJRFJ-UHFFFAOYSA-N
XLogP-0.84
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic 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-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid (CID 135577455) is 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid is Nc1nc[nH]c(=O)c1NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid?
The InChIKey is BRHOWOMWOBJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c9-7-6(8(16)11-3-10-7)12-4(13)1-2-5(14)15/h3H,1-2H2,(H,12,13)(H,14,15)(H3,9,10,11,16).
What are the key properties of 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid?
4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid has a molecular weight of 226.19 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 135577455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).