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

C6H8N4O3 — CID 69391627

IUPAC2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
SMILESNC(Nc1ccnc(=O)[nH]1)C(=O)O
InChIInChI=1S/C6H8N4O3/c7-4(5(11)12)9-3-1-2-8-6(13)10-3/h1-2,4H,7H2,(H,11,12)(H2,8,9,10,13)
InChIKeyFWISBXXRIHXTTO-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.45
Rot. Bonds3

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

2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid (PubChem CID 69391627) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
PubChem CID69391627
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
SMILESNC(Nc1ccnc(=O)[nH]1)C(=O)O
InChIInChI=1S/C6H8N4O3/c7-4(5(11)12)9-3-1-2-8-6(13)10-3/h1-2,4H,7H2,(H,11,12)(H2,8,9,10,13)
InChIKeyFWISBXXRIHXTTO-UHFFFAOYSA-N
XLogP-1.45
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 ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The IUPAC name of 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid (CID 69391627) is 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The canonical SMILES for 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid is NC(Nc1ccnc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The InChIKey is FWISBXXRIHXTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-4(5(11)12)9-3-1-2-8-6(13)10-3/h1-2,4H,7H2,(H,11,12)(H2,8,9,10,13).
What are the key properties of 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid has a molecular weight of 184.16 g/mol, XLogP of -1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid is sourced from PubChem (CID 69391627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).