N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O2S2 — CID 114566632

IUPACN-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(SCCS(C)(=O)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S2/c1-3-14-9-15-7(10(11,12)13)6-8(16-9)19-4-5-20(2,17)18/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyZMSCMIFIYQWDHT-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.06
Rot. Bonds6

About N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566632) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566632
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC NameN-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(SCCS(C)(=O)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S2/c1-3-14-9-15-7(10(11,12)13)6-8(16-9)19-4-5-20(2,17)18/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyZMSCMIFIYQWDHT-UHFFFAOYSA-N
XLogP2.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566898
N-ethyl-4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566738
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567865
4-(3-methoxypropylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566851
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 114564759
N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566913
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566792
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566632) is N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(SCCS(C)(=O)=O)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZMSCMIFIYQWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c1-3-14-9-15-7(10(11,12)13)6-8(16-9)19-4-5-20(2,17)18/h6H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 329.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).