3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile

C15H14F3N7 — CID 126889663

IUPAC3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H14F3N7/c16-15(17,18)12-7-13(23-9-22-12)24-10-1-5-25(6-2-10)14-11(8-19)20-3-4-21-14/h3-4,7,9-10H,1-2,5-6H2,(H,22,23,24)
InChIKeyYRMKZIAXDARFCU-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.24
Rot. Bonds3

About 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126889663) has the molecular formula C15H14F3N7 and a molecular weight of 349.32 g/mol. Its IUPAC name is 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID126889663
Molecular FormulaC15H14F3N7
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC Name3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H14F3N7/c16-15(17,18)12-7-13(23-9-22-12)24-10-1-5-25(6-2-10)14-11(8-19)20-3-4-21-14/h3-4,7,9-10H,1-2,5-6H2,(H,22,23,24)
InChIKeyYRMKZIAXDARFCU-UHFFFAOYSA-N
XLogP2.24
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile (CID 126889663) is 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YRMKZIAXDARFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7/c16-15(17,18)12-7-13(23-9-22-12)24-10-1-5-25(6-2-10)14-11(8-19)20-3-4-21-14/h3-4,7,9-10H,1-2,5-6H2,(H,22,23,24).
What are the key properties of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 349.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126889663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).