2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

C15H18N4O3S — CID 27478778

IUPAC2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(N)=O)c(CSc2nc(C)cc(C)n2)cc1=O
InChIInChI=1S/C15H18N4O3S/c1-9-4-10(2)18-15(17-9)23-8-11-5-12(20)13(22-3)6-19(11)7-14(16)21/h4-6H,7-8H2,1-3H3,(H2,16,21)
InChIKeyHHQCOVSIBQUSEX-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.04
Rot. Bonds6

About 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 27478778) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID27478778
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(N)=O)c(CSc2nc(C)cc(C)n2)cc1=O
InChIInChI=1S/C15H18N4O3S/c1-9-4-10(2)18-15(17-9)23-8-11-5-12(20)13(22-3)6-19(11)7-14(16)21/h4-6H,7-8H2,1-3H3,(H2,16,21)
InChIKeyHHQCOVSIBQUSEX-UHFFFAOYSA-N
XLogP1.04
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 27478778) is 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(N)=O)c(CSc2nc(C)cc(C)n2)cc1=O.
What is the InChIKey of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is HHQCOVSIBQUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-4-10(2)18-15(17-9)23-8-11-5-12(20)13(22-3)6-19(11)7-14(16)21/h4-6H,7-8H2,1-3H3,(H2,16,21).
What are the key properties of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27478778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).