N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide

C10H15F3N4O2S — CID 122354453

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)CCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2S/c1-17(2)9-14-5-3-8(16-9)7-15-20(18,19)6-4-10(11,12)13/h3,5,15H,4,6-7H2,1-2H3
InChIKeyVYYGIIWENIUVLS-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.91
Rot. Bonds6

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 122354453) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID122354453
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)CCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2S/c1-17(2)9-14-5-3-8(16-9)7-15-20(18,19)6-4-10(11,12)13/h3,5,15H,4,6-7H2,1-2H3
InChIKeyVYYGIIWENIUVLS-UHFFFAOYSA-N
XLogP0.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide (CID 122354453) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide is CN(C)c1nccc(CNS(=O)(=O)CCC(F)(F)F)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is VYYGIIWENIUVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-17(2)9-14-5-3-8(16-9)7-15-20(18,19)6-4-10(11,12)13/h3,5,15H,4,6-7H2,1-2H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 122354453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).