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

C6H7N3O3 — CID 83851818

IUPAC2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESNc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C6H7N3O3/c7-4-1-3(2-5(10)11)8-6(12)9-4/h1H,2H2,(H,10,11)(H3,7,8,9,12)
InChIKeyFYQLAPWXBJAAND-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.02
Rot. Bonds2

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

2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83851818) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID83851818
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESNc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C6H7N3O3/c7-4-1-3(2-5(10)11)8-6(12)9-4/h1H,2H2,(H,10,11)(H3,7,8,9,12)
InChIKeyFYQLAPWXBJAAND-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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Related Compounds

2-(2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 21113461
2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 82399133
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(4-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851969
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857320
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857327
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857330
2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864227
2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864294
2-(4-amino-5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83867161
2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83869006

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid (CID 83851818) is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid is Nc1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is FYQLAPWXBJAAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c7-4-1-3(2-5(10)11)8-6(12)9-4/h1H,2H2,(H,10,11)(H3,7,8,9,12).
What are the key properties of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid?
2-(4-amino-2-oxo-1H-pyrimidin-6-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-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83851818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).