N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O2S — CID 79562543

IUPACN-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(CNc1nccc(C(F)(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C10H14F3N3O2S/c1-9(2,19(3,17)18)6-15-8-14-5-4-7(16-8)10(11,12)13/h4-5H,6H2,1-3H3,(H,14,15,16)
InChIKeyPPMNJIDFPFHLBU-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.73
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 79562543) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID79562543
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(CNc1nccc(C(F)(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C10H14F3N3O2S/c1-9(2,19(3,17)18)6-15-8-14-5-4-7(16-8)10(11,12)13/h4-5H,6H2,1-3H3,(H,14,15,16)
InChIKeyPPMNJIDFPFHLBU-UHFFFAOYSA-N
XLogP1.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 79562543) is N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)(CNc1nccc(C(F)(F)F)n1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PPMNJIDFPFHLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-9(2,19(3,17)18)6-15-8-14-5-4-7(16-8)10(11,12)13/h4-5H,6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 297.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 79562543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).