2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

C9H13F3N4O2S — CID 55043551

IUPAC2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H13F3N4O2S/c1-2-3-16(6-9(10,11)12)19(17,18)7-4-14-8(13)15-5-7/h4-5H,2-3,6H2,1H3,(H2,13,14,15)
InChIKeyNZLIEYWWLPJZRN-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (PubChem CID 55043551) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
PubChem CID55043551
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H13F3N4O2S/c1-2-3-16(6-9(10,11)12)19(17,18)7-4-14-8(13)15-5-7/h4-5H,2-3,6H2,1H3,(H2,13,14,15)
InChIKeyNZLIEYWWLPJZRN-UHFFFAOYSA-N
XLogP1.02
TPSA89.18 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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (CID 55043551) is 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The InChIKey is NZLIEYWWLPJZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-2-3-16(6-9(10,11)12)19(17,18)7-4-14-8(13)15-5-7/h4-5H,2-3,6H2,1H3,(H2,13,14,15).
What are the key properties of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55043551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).