2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide

C11H13F2N3OS — CID 19580895

IUPAC2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc(C)cc(C(F)F)n1
InChIInChI=1S/C11H13F2N3OS/c1-3-4-14-9(17)6-18-11-15-7(2)5-8(16-11)10(12)13/h3,5,10H,1,4,6H2,2H3,(H,14,17)
InChIKeyHYJHTUKZBXNSOC-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide

2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide (PubChem CID 19580895) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide
PubChem CID19580895
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc(C)cc(C(F)F)n1
InChIInChI=1S/C11H13F2N3OS/c1-3-4-14-9(17)6-18-11-15-7(2)5-8(16-11)10(12)13/h3,5,10H,1,4,6H2,2H3,(H,14,17)
InChIKeyHYJHTUKZBXNSOC-UHFFFAOYSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide (CID 19580895) is 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nc(C)cc(C(F)F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide?
The InChIKey is HYJHTUKZBXNSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c1-3-4-14-9(17)6-18-11-15-7(2)5-8(16-11)10(12)13/h3,5,10H,1,4,6H2,2H3,(H,14,17).
What are the key properties of 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide?
2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide has a molecular weight of 273.31 g/mol, XLogP of 2.12, 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-prop-2-enylacetamide is sourced from PubChem (CID 19580895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).