2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C14H10F3N5OS — CID 3243379

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N
InChIInChI=1S/C14H10F3N5OS/c15-14(16,17)9-3-1-2-4-10(9)21-11(23)7-24-13-20-6-8(5-18)12(19)22-13/h1-4,6H,7H2,(H,21,23)(H2,19,20,22)
InChIKeyVCIPWRSFWAJDBL-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3243379) has the molecular formula C14H10F3N5OS and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3243379
Molecular FormulaC14H10F3N5OS
Molecular Weight353.33 g/mol
Exact Mass353.06
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N
InChIInChI=1S/C14H10F3N5OS/c15-14(16,17)9-3-1-2-4-10(9)21-11(23)7-24-13-20-6-8(5-18)12(19)22-13/h1-4,6H,7H2,(H,21,23)(H2,19,20,22)
InChIKeyVCIPWRSFWAJDBL-UHFFFAOYSA-N
XLogP2.68
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3243379) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is N#Cc1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VCIPWRSFWAJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5OS/c15-14(16,17)9-3-1-2-4-10(9)21-11(23)7-24-13-20-6-8(5-18)12(19)22-13/h1-4,6H,7H2,(H,21,23)(H2,19,20,22).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3243379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).