N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H10F3N5S — CID 106774978

IUPACN-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-14-6-5-7(17-8(16-6)10(11,12)13)19-9-15-3-4-18(9)2/h3-5H,1-2H3,(H,14,16,17)
InChIKeyWIAMVBFYCJAARH-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774978) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774978
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC NameN-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-14-6-5-7(17-8(16-6)10(11,12)13)19-9-15-3-4-18(9)2/h3-5H,1-2H3,(H,14,16,17)
InChIKeyWIAMVBFYCJAARH-UHFFFAOYSA-N
XLogP2.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~4~-methyl-N~2~-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 50950039
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72887542
1-[2-[3-[(4-Amino-1,2,5-thiadiazol-3-yl)amino]propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20186904
1-[2-[3-(1H-imidazol-2-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21279744
1-Cyano-2-methyl-3-[3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropyl]guanidine
CID 54036039
N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine
CID 69387530
2-fluoro-6-imidazol-1-yl-N-methylpyrimidin-4-amine
CID 142074653
2-Methyl-7-(trifluoromethylsulfanyl)imidazo[1,2-c]pyrimidine
CID 153569213
1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 156830632
7-(Trifluoromethylsulfanyl)imidazo[1,2-c]pyrimidine
CID 169004291
4-Methylsulfonyl-2-[2-(trifluoromethyl)imidazol-1-yl]pyrimidine
CID 172330574
4-Methylsulfonyl-2-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
CID 172330619

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774978) is N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nccn2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WIAMVBFYCJAARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-14-6-5-7(17-8(16-6)10(11,12)13)19-9-15-3-4-18(9)2/h3-5H,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).