2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

C15H21N5OS — CID 91794846

IUPAC2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1ccnc(SCC(=O)NCCn2nc(C)c(C)c2C)n1
InChIInChI=1S/C15H21N5OS/c1-10-5-6-17-15(18-10)22-9-14(21)16-7-8-20-13(4)11(2)12(3)19-20/h5-6H,7-9H2,1-4H3,(H,16,21)
InChIKeyRWOSTQOHHNYTCW-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (PubChem CID 91794846) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
PubChem CID91794846
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1ccnc(SCC(=O)NCCn2nc(C)c(C)c2C)n1
InChIInChI=1S/C15H21N5OS/c1-10-5-6-17-15(18-10)22-9-14(21)16-7-8-20-13(4)11(2)12(3)19-20/h5-6H,7-9H2,1-4H3,(H,16,21)
InChIKeyRWOSTQOHHNYTCW-UHFFFAOYSA-N
XLogP1.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (CID 91794846) is 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is Cc1ccnc(SCC(=O)NCCn2nc(C)c(C)c2C)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is RWOSTQOHHNYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-5-6-17-15(18-10)22-9-14(21)16-7-8-20-13(4)11(2)12(3)19-20/h5-6H,7-9H2,1-4H3,(H,16,21).
What are the key properties of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91794846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).