N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide

C9H13F3N4O2S — CID 122298116

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)CCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O2S/c1-16(2)8-13-5-7(6-14-8)15-19(17,18)4-3-9(10,11)12/h5-6,15H,3-4H2,1-2H3
InChIKeyXIWJVKINBXRXJW-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide

N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 122298116) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID122298116
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)CCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O2S/c1-16(2)8-13-5-7(6-14-8)15-19(17,18)4-3-9(10,11)12/h5-6,15H,3-4H2,1-2H3
InChIKeyXIWJVKINBXRXJW-UHFFFAOYSA-N
XLogP1.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.24
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-5-yl]-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide (CID 122298116) is N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide is CN(C)c1ncc(NS(=O)(=O)CCC(F)(F)F)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is XIWJVKINBXRXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-16(2)8-13-5-7(6-14-8)15-19(17,18)4-3-9(10,11)12/h5-6,15H,3-4H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 122298116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).