N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C14H17N3O2S — CID 2105425

IUPACN-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCc2ccco2)nc(C)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-10(2)16-14(17-11(9)3)20-8-13(18)15-7-12-5-4-6-19-12/h4-6H,7-8H2,1-3H3,(H,15,18)
InChIKeyRJEHBASRZQUHAV-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.40
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2105425) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2105425
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCc2ccco2)nc(C)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-10(2)16-14(17-11(9)3)20-8-13(18)15-7-12-5-4-6-19-12/h4-6H,7-8H2,1-3H3,(H,15,18)
InChIKeyRJEHBASRZQUHAV-UHFFFAOYSA-N
XLogP2.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2105425) is N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NCc2ccco2)nc(C)c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RJEHBASRZQUHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-10(2)16-14(17-11(9)3)20-8-13(18)15-7-12-5-4-6-19-12/h4-6H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 291.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2105425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).