2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

C6H6F3N3S — CID 162540627

IUPAC2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C6H6F3N3S/c1-13-5-11-2-3(4(10)12-5)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyCJHDEUNTNJVBOC-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.80
Rot. Bonds1

About 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 162540627) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID162540627
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C6H6F3N3S/c1-13-5-11-2-3(4(10)12-5)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyCJHDEUNTNJVBOC-UHFFFAOYSA-N
XLogP1.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 295757
5-Methylpyrimidin-4-amine
CID 21719209
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-Chloro-5-methylpyrimidin-4-amine
CID 4302175
5-(Trifluoromethyl)pyrimidine
CID 15273573
5-Methylpyrimidin-2-amine
CID 12999933
2,4-Difluoro-5-methylpyrimidine
CID 336950
5-Fluoropyrimidin-4-amine
CID 3478696
2-(Methylsulfanyl)pyrimidine-5-carbonitrile
CID 13114184
4-Chloro-5-methyl-2-(methylthio)pyrimidine
CID 23562708
2-Chloro-5-(trifluoromethyl)pyrimidin-4-amine
CID 72183117
5-Bromo-2-(methylsulfanyl)pyrimidin-4-amine
CID 613536

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 162540627) is 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is CSc1ncc(C(F)(F)F)c(N)n1.
What is the InChIKey of 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CJHDEUNTNJVBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c1-13-5-11-2-3(4(10)12-5)6(7,8)9/h2H,1H3,(H2,10,11,12).
What are the key properties of 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 209.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 162540627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).