4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile

C7H5F3N4S — CID 2746109

IUPAC4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(C(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C7H5F3N4S/c1-15-5-3(2-11)4(12)13-6(14-5)7(8,9)10/h1H3,(H2,12,13,14)
InChIKeyMIXFTBWWCBBQMM-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.67
Rot. Bonds1

About 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile

4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile (PubChem CID 2746109) has the molecular formula C7H5F3N4S and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile
PubChem CID2746109
Molecular FormulaC7H5F3N4S
Molecular Weight234.21 g/mol
Exact Mass234.02
IUPAC Name4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(C(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C7H5F3N4S/c1-15-5-3(2-11)4(12)13-6(14-5)7(8,9)10/h1H3,(H2,12,13,14)
InChIKeyMIXFTBWWCBBQMM-UHFFFAOYSA-N
XLogP1.67
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile (CID 2746109) is 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile is CSc1nc(C(F)(F)F)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
The InChIKey is MIXFTBWWCBBQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4S/c1-15-5-3(2-11)4(12)13-6(14-5)7(8,9)10/h1H3,(H2,12,13,14).
What are the key properties of 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile has a molecular weight of 234.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 2746109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).