N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine

C13H9F6N3S — CID 1483268

IUPACN-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine
SMILESCNc1nc(Sc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F6N3S/c1-20-11-21-9(13(17,18)19)6-10(22-11)23-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,20,21,22)
InChIKeyPVMNERIGXCUSEX-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.71
Rot. Bonds3

About N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine

N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine (PubChem CID 1483268) has the molecular formula C13H9F6N3S and a molecular weight of 353.29 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine
PubChem CID1483268
Molecular FormulaC13H9F6N3S
Molecular Weight353.29 g/mol
Exact Mass353.04
IUPAC NameN-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine
SMILESCNc1nc(Sc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F6N3S/c1-20-11-21-9(13(17,18)19)6-10(22-11)23-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,20,21,22)
InChIKeyPVMNERIGXCUSEX-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine (CID 1483268) is N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine is CNc1nc(Sc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
The InChIKey is PVMNERIGXCUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N3S/c1-20-11-21-9(13(17,18)19)6-10(22-11)23-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,20,21,22).
What are the key properties of N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine has a molecular weight of 353.29 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine is sourced from PubChem (CID 1483268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).