N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O2S — CID 56789847

IUPACN-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCS(=O)(=O)CC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S/c1-3-19(17,18)6-7(2)15-9-14-5-4-8(16-9)10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyABFJFWWDHJOZOY-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.73
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 56789847) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID56789847
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCS(=O)(=O)CC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S/c1-3-19(17,18)6-7(2)15-9-14-5-4-8(16-9)10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyABFJFWWDHJOZOY-UHFFFAOYSA-N
XLogP1.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 56789847) is N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CCS(=O)(=O)CC(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ABFJFWWDHJOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-3-19(17,18)6-7(2)15-9-14-5-4-8(16-9)10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 297.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 56789847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).