2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide

C13H13N3O2S — CID 2201505

IUPAC2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(Oc2ccccc2)nc(SCC(N)=O)n1
InChIInChI=1S/C13H13N3O2S/c1-9-7-12(18-10-5-3-2-4-6-10)16-13(15-9)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyGGOBXNXHRJSDDA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide

2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide (PubChem CID 2201505) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide
PubChem CID2201505
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(Oc2ccccc2)nc(SCC(N)=O)n1
InChIInChI=1S/C13H13N3O2S/c1-9-7-12(18-10-5-3-2-4-6-10)16-13(15-9)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyGGOBXNXHRJSDDA-UHFFFAOYSA-N
XLogP2.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide (CID 2201505) is 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide is Cc1cc(Oc2ccccc2)nc(SCC(N)=O)n1.
What is the InChIKey of 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide?
The InChIKey is GGOBXNXHRJSDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-7-12(18-10-5-3-2-4-6-10)16-13(15-9)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide?
2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2201505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).