N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

C10H15F3N4O2S — CID 62145628

IUPACN-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O2S/c1-3-4-14-9-15-5-8(6-16-9)20(18,19)17(2)7-10(11,12)13/h5-6H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeySRRJHCLVCPRNNN-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.48
Rot. Bonds6

About N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (PubChem CID 62145628) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
PubChem CID62145628
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O2S/c1-3-4-14-9-15-5-8(6-16-9)20(18,19)17(2)7-10(11,12)13/h5-6H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeySRRJHCLVCPRNNN-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The IUPAC name of N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (CID 62145628) is N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1.
What is the InChIKey of N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The InChIKey is SRRJHCLVCPRNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-3-4-14-9-15-5-8(6-16-9)20(18,19)17(2)7-10(11,12)13/h5-6H,3-4,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62145628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).