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

C6H8N4O3 — CID 136612221

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESNc1nc[nH]c(=O)c1NCC(=O)O
InChIInChI=1S/C6H8N4O3/c7-5-4(8-1-3(11)12)6(13)10-2-9-5/h2,8H,1H2,(H,11,12)(H3,7,9,10,13)
InChIKeyOBPLRFPKBIZJEU-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.15
Rot. Bonds3

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

2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid (PubChem CID 136612221) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
PubChem CID136612221
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESNc1nc[nH]c(=O)c1NCC(=O)O
InChIInChI=1S/C6H8N4O3/c7-5-4(8-1-3(11)12)6(13)10-2-9-5/h2,8H,1H2,(H,11,12)(H3,7,9,10,13)
InChIKeyOBPLRFPKBIZJEU-UHFFFAOYSA-N
XLogP-1.15
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid (CID 136612221) is 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid is Nc1nc[nH]c(=O)c1NCC(=O)O.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid?
The InChIKey is OBPLRFPKBIZJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-5-4(8-1-3(11)12)6(13)10-2-9-5/h2,8H,1H2,(H,11,12)(H3,7,9,10,13).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid?
2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid has a molecular weight of 184.16 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 136612221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).