6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C16H19F3N6S — CID 118249258

IUPAC6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1
InChIInChI=1S/C16H19F3N6S/c17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)
InChIKeyLKLANPYQUJKVAY-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.80
Rot. Bonds4

About 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 118249258) has the molecular formula C16H19F3N6S and a molecular weight of 384.43 g/mol. Its IUPAC name is 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID118249258
Molecular FormulaC16H19F3N6S
Molecular Weight384.43 g/mol
Exact Mass384.13
IUPAC Name6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1
InChIInChI=1S/C16H19F3N6S/c17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)
InChIKeyLKLANPYQUJKVAY-UHFFFAOYSA-N
XLogP2.80
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

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Related Compounds

US10301278, Example 29
CID 118239475
(4S)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
(4R)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118248000
US10301278, Example 30
CID 118248909
1-Pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]thiourea
CID 152939127
5-(6-Methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
CID 72711842
US10301278, Example 56
CID 118239451
US10301278, Example 40
CID 118239840
US10336774, Example 35
CID 118247719
US10336774, Example 47
CID 118247722
US10336774, Example 67
CID 118247770
US10336774, Example 85
CID 118247851

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 118249258) is 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is NCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1.
What is the InChIKey of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is LKLANPYQUJKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6S/c17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24).
What are the key properties of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 384.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 118249258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).