ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine

C14H16F3N3S — CID 144826439

IUPACethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine
SMILESCC.NCc1cc(-c2ccc(SC(F)(F)F)cc2)ncn1
InChIInChI=1S/C12H10F3N3S.C2H6/c13-12(14,15)19-10-3-1-8(2-4-10)11-5-9(6-16)17-7-18-11;1-2/h1-5,7H,6,16H2;1-2H3
InChIKeyJPGCJDYUEZONJK-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.24
Rot. Bonds3

About ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine

ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine (PubChem CID 144826439) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Nameethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine
PubChem CID144826439
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Nameethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine
SMILESCC.NCc1cc(-c2ccc(SC(F)(F)F)cc2)ncn1
InChIInChI=1S/C12H10F3N3S.C2H6/c13-12(14,15)19-10-3-1-8(2-4-10)11-5-9(6-16)17-7-18-11;1-2/h1-5,7H,6,16H2;1-2H3
InChIKeyJPGCJDYUEZONJK-UHFFFAOYSA-N
XLogP4.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine with MolForge

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Related Compounds

[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
CID 82022750
1-phenyl-N'-[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 75602758
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
[6-(4-cyclopropylphenyl)pyrimidin-4-yl]methanamine
CID 118008230
2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine
CID 162412116
2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
CID 83849204
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]propan-1-one;[6-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyrimidin-4-yl]methanamine
CID 161182756
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
CID 162534995
[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662
(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 82405865

Frequently Asked Questions

What is the IUPAC name of ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine?
The IUPAC name of ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine (CID 144826439) is ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine?
The canonical SMILES for ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine is CC.NCc1cc(-c2ccc(SC(F)(F)F)cc2)ncn1.
What is the InChIKey of ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine?
The InChIKey is JPGCJDYUEZONJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S.C2H6/c13-12(14,15)19-10-3-1-8(2-4-10)11-5-9(6-16)17-7-18-11;1-2/h1-5,7H,6,16H2;1-2H3.
What are the key properties of ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine?
ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine has a molecular weight of 315.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 144826439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).