2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide

C12H17F2N3OS — CID 17021373

IUPAC2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
SMILESCc1cc(C(F)F)nc(SCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H17F2N3OS/c1-7(2)5-15-10(18)6-19-12-16-8(3)4-9(17-12)11(13)14/h4,7,11H,5-6H2,1-3H3,(H,15,18)
InChIKeyWQNUXHDSHJSFPM-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide

2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 17021373) has the molecular formula C12H17F2N3OS and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID17021373
Molecular FormulaC12H17F2N3OS
Molecular Weight289.35 g/mol
Exact Mass289.11
IUPAC Name2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
SMILESCc1cc(C(F)F)nc(SCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H17F2N3OS/c1-7(2)5-15-10(18)6-19-12-16-8(3)4-9(17-12)11(13)14/h4,7,11H,5-6H2,1-3H3,(H,15,18)
InChIKeyWQNUXHDSHJSFPM-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide (CID 17021373) is 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide is Cc1cc(C(F)F)nc(SCC(=O)NCC(C)C)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is WQNUXHDSHJSFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3OS/c1-7(2)5-15-10(18)6-19-12-16-8(3)4-9(17-12)11(13)14/h4,7,11H,5-6H2,1-3H3,(H,15,18).
What are the key properties of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide?
2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 289.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 17021373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).