2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid

C10H13N5O4 — CID 136958961

IUPAC2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESNc1c(N2CCNC(=O)C2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N5O4/c11-7-8(13-4-14-10(7)19)15-2-1-12-9(18)5(15)3-6(16)17/h4-5H,1-3,11H2,(H,12,18)(H,16,17)(H,13,14,19)
InChIKeyYWBODNSPGKETLS-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.87
Rot. Bonds3

About 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 136958961) has the molecular formula C10H13N5O4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID136958961
Molecular FormulaC10H13N5O4
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESNc1c(N2CCNC(=O)C2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N5O4/c11-7-8(13-4-14-10(7)19)15-2-1-12-9(18)5(15)3-6(16)17/h4-5H,1-3,11H2,(H,12,18)(H,16,17)(H,13,14,19)
InChIKeyYWBODNSPGKETLS-UHFFFAOYSA-N
XLogP-1.87
TPSA141.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,4,5,6,7,8-hexahydro-4,7-dioxo-6-pteridinyl) Acetic acid
CID 135755332
Butanoic acid, 4-(4-amino-6-hydroxy-5-pyrimidinylamino)-4-oxo-
CID 135577455
2-[3-oxo-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid
CID 136958962
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958964
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958965
2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958966
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanedioic acid
CID 136959395
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978435
2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid
CID 137015822
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692049

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid (CID 136958961) is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid is Nc1c(N2CCNC(=O)C2CC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is YWBODNSPGKETLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-7-8(13-4-14-10(7)19)15-2-1-12-9(18)5(15)3-6(16)17/h4-5H,1-3,11H2,(H,12,18)(H,16,17)(H,13,14,19).
What are the key properties of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 136958961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).