2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

C14H15N3O4S — CID 135485480

IUPAC2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C
InChIInChI=1S/C14H15N3O4S/c1-17-13(20)7-11(18)16-14(17)22-8-12(19)15-9-5-3-4-6-10(9)21-2/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyUSWPLQWFLNYFAJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.23
Rot. Bonds5

About 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 135485480) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID135485480
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C
InChIInChI=1S/C14H15N3O4S/c1-17-13(20)7-11(18)16-14(17)22-8-12(19)15-9-5-3-4-6-10(9)21-2/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyUSWPLQWFLNYFAJ-UHFFFAOYSA-N
XLogP1.23
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 135485480) is 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C.
What is the InChIKey of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is USWPLQWFLNYFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-17-13(20)7-11(18)16-14(17)22-8-12(19)15-9-5-3-4-6-10(9)21-2/h3-7,18H,8H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 321.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135485480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).