N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C12H17F3N4S — CID 80847744

IUPACN-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC(C(F)(F)F)C2)nc(SC)n1
InChIInChI=1S/C12H17F3N4S/c1-16-9-6-10(18-11(17-9)20-2)19-5-3-4-8(7-19)12(13,14)15/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeySPVRWLZIZAYYSY-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.02
Rot. Bonds3

About N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80847744) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80847744
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC NameN-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC(C(F)(F)F)C2)nc(SC)n1
InChIInChI=1S/C12H17F3N4S/c1-16-9-6-10(18-11(17-9)20-2)19-5-3-4-8(7-19)12(13,14)15/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeySPVRWLZIZAYYSY-UHFFFAOYSA-N
XLogP3.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80924868
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80854581
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80834108
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80847307
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796529
6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80796740

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80847744) is N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC(C(F)(F)F)C2)nc(SC)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is SPVRWLZIZAYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c1-16-9-6-10(18-11(17-9)20-2)19-5-3-4-8(7-19)12(13,14)15/h6,8H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 306.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80847744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).