(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate

C8H10N2O4 — CID 58937973

IUPAC(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-4-7(12)9-6(10-8(4)13)3-14-5(2)11/h3H2,1-2H3,(H2,9,10,12,13)
InChIKeyGVJJRRLWCVYZLM-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.15
Rot. Bonds2

About (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate

(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate (PubChem CID 58937973) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate.

Molecular Properties

Compound Name(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate
PubChem CID58937973
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-4-7(12)9-6(10-8(4)13)3-14-5(2)11/h3H2,1-2H3,(H2,9,10,12,13)
InChIKeyGVJJRRLWCVYZLM-UHFFFAOYSA-N
XLogP-0.15
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
The IUPAC name of (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate (CID 58937973) is (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate.
What is the SMILES notation for (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
The canonical SMILES for (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate is CC(=O)OCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
The InChIKey is GVJJRRLWCVYZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-7(12)9-6(10-8(4)13)3-14-5(2)11/h3H2,1-2H3,(H2,9,10,12,13).
What are the key properties of (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate has a molecular weight of 198.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate is sourced from PubChem (CID 58937973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).