N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H10F3N5S — CID 107784981

IUPACN-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-2-14-6-5-7(19-9-15-3-4-16-9)18-8(17-6)10(11,12)13/h3-5H,2H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyPORLSDUKYHKENI-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.80
Rot. Bonds4

About N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107784981) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107784981
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC NameN-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-2-14-6-5-7(19-9-15-3-4-16-9)18-8(17-6)10(11,12)13/h3-5H,2H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyPORLSDUKYHKENI-UHFFFAOYSA-N
XLogP2.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-[3-(1H-imidazol-2-ylsulfanyl)propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21279792
1-[2-[2-(1H-imidazol-2-ylsulfanyl)ethoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21279793
2-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 17434766
5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887075
N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80887853
5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80887976
4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 105923096
6-N-methyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 105923151
6-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 105923273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 107784981) is N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PORLSDUKYHKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-2-14-6-5-7(19-9-15-3-4-16-9)18-8(17-6)10(11,12)13/h3-5H,2H2,1H3,(H,15,16)(H,14,17,18).
What are the key properties of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107784981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).