N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H10F3N5S — CID 106775119

IUPACN-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nccc(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5S/c1-6-3-4-16-10(17-6)20-8-5-7(15-2)18-9(19-8)11(12,13)14/h3-5H,1-2H3,(H,15,18,19)
InChIKeyREZYUYCTSIRRIB-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.79
Rot. Bonds3

About N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775119) has the molecular formula C11H10F3N5S and a molecular weight of 301.30 g/mol. Its IUPAC name is N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775119
Molecular FormulaC11H10F3N5S
Molecular Weight301.30 g/mol
Exact Mass301.06
IUPAC NameN-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nccc(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5S/c1-6-3-4-16-10(17-6)20-8-5-7(15-2)18-9(19-8)11(12,13)14/h3-5H,1-2H3,(H,15,18,19)
InChIKeyREZYUYCTSIRRIB-UHFFFAOYSA-N
XLogP2.79
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775121
N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107785223
[6-(4-methylpyrimidin-2-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721413
N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775288
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
CID 80892050
[2-(methoxymethyl)-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 113402011
6-(4-methylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 62267843
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005
2-methyl-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-4-carboximidamide
CID 114769659
N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774883
4,5-bis[(4-methylpyrimidin-2-yl)sulfanyl]benzene-1,2-diol
CID 102477805

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775119) is N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nccc(C)n2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is REZYUYCTSIRRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5S/c1-6-3-4-16-10(17-6)20-8-5-7(15-2)18-9(19-8)11(12,13)14/h3-5H,1-2H3,(H,15,18,19).
What are the key properties of N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).