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

C6H7N3O3 — CID 135408643

IUPAC2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESNc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c7-6-8-3(2-5(11)12)1-4(10)9-6/h1H,2H2,(H,11,12)(H3,7,8,9,10)
InChIKeyNFUONTBACKPJDT-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.02
Rot. Bonds2

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

2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid (PubChem CID 135408643) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid
PubChem CID135408643
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESNc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c7-6-8-3(2-5(11)12)1-4(10)9-6/h1H,2H2,(H,11,12)(H3,7,8,9,10)
InChIKeyNFUONTBACKPJDT-UHFFFAOYSA-N
XLogP-1.02
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid (CID 135408643) is 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid is Nc1nc(CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid?
The InChIKey is NFUONTBACKPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c7-6-8-3(2-5(11)12)1-4(10)9-6/h1H,2H2,(H,11,12)(H3,7,8,9,10).
What are the key properties of 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid?
2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid has a molecular weight of 169.14 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 135408643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).