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

C6H7N3O3 — CID 57038123

IUPAC(2-amino-6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H7N3O3/c1-3(10)12-5-2-4(11)8-6(7)9-5/h2H,1H3,(H3,7,8,9,11)
InChIKeyVYOZRPLATPFDCV-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.72
Rot. Bonds1

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

(2-amino-6-oxo-1H-pyrimidin-4-yl) acetate (PubChem CID 57038123) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate.

Molecular Properties

Compound Name(2-amino-6-oxo-1H-pyrimidin-4-yl) acetate
PubChem CID57038123
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name(2-amino-6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H7N3O3/c1-3(10)12-5-2-4(11)8-6(7)9-5/h2H,1H3,(H3,7,8,9,11)
InChIKeyVYOZRPLATPFDCV-UHFFFAOYSA-N
XLogP-0.72
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate?
The IUPAC name of (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate (CID 57038123) is (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate.
What is the SMILES notation for (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate?
The canonical SMILES for (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate is CC(=O)Oc1cc(=O)[nH]c(N)n1.
What is the InChIKey of (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate?
The InChIKey is VYOZRPLATPFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3(10)12-5-2-4(11)8-6(7)9-5/h2H,1H3,(H3,7,8,9,11).
What are the key properties of (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate?
(2-amino-6-oxo-1H-pyrimidin-4-yl) acetate has a molecular weight of 169.14 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-oxo-1H-pyrimidin-4-yl) acetate is sourced from PubChem (CID 57038123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).