N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine

C17H12F3N3S — CID 122206370

IUPACN-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)14-11-21-16(22-12-7-3-1-4-8-12)23-15(14)24-13-9-5-2-6-10-13/h1-11H,(H,21,22,23)
InChIKeyZLDZQCSVANZUGY-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.39
Rot. Bonds4

About N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine

N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 122206370) has the molecular formula C17H12F3N3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID122206370
Molecular FormulaC17H12F3N3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)14-11-21-16(22-12-7-3-1-4-8-12)23-15(14)24-13-9-5-2-6-10-13/h1-11H,(H,21,22,23)
InChIKeyZLDZQCSVANZUGY-UHFFFAOYSA-N
XLogP5.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
2-(Pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)pyrimidine
CID 11256060
2-(Pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)pyrimidine
CID 11450419
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539287
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539288
4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
CID 3740868
4-[(4-Cyclohexylsulfanylpyrimidin-2-yl)amino]benzonitrile
CID 54764930
4-[(4-Cyclohexylsulfanyl-5-methyl-pyrimidin-2-yl)amino]benzonitrile
CID 57399278
4-(3,4-Difluorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11370077
1-Phenyl-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylphenyl]urea
CID 2809230
N-[3-(trifluoromethyl)phenyl]-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 145984596

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine (CID 122206370) is N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(Nc2ccccc2)nc1Sc1ccccc1.
What is the InChIKey of N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZLDZQCSVANZUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3S/c18-17(19,20)14-11-21-16(22-12-7-3-1-4-8-12)23-15(14)24-13-9-5-2-6-10-13/h1-11H,(H,21,22,23).
What are the key properties of N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine?
N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 347.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 122206370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).