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

C7H8N2O3 — CID 70552994

IUPAC(2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C7H8N2O3/c1-4-8-6(11)3-7(9-4)12-5(2)10/h3H,1-2H3,(H,8,9,11)
InChIKeyYFRRWPSMXGCWRA-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.00
Rot. Bonds1

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

(2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate (PubChem CID 70552994) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate.

Molecular Properties

Compound Name(2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate
PubChem CID70552994
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C7H8N2O3/c1-4-8-6(11)3-7(9-4)12-5(2)10/h3H,1-2H3,(H,8,9,11)
InChIKeyYFRRWPSMXGCWRA-UHFFFAOYSA-N
XLogP0.00
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate?
The IUPAC name of (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate (CID 70552994) is (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate.
What is the SMILES notation for (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate?
The canonical SMILES for (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate is CC(=O)Oc1cc(=O)[nH]c(C)n1.
What is the InChIKey of (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate?
The InChIKey is YFRRWPSMXGCWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-8-6(11)3-7(9-4)12-5(2)10/h3H,1-2H3,(H,8,9,11).
What are the key properties of (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate?
(2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate has a molecular weight of 168.15 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxo-1H-pyrimidin-4-yl) acetate is sourced from PubChem (CID 70552994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).