6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide

C20H17F3N6O2 — CID 165415171

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H17F3N6O2/c21-20(22,23)10-31-15-3-1-2-13(6-15)28-19(30)17-18(27-14-7-24-11-25-8-14)26-9-16(29-17)12-4-5-12/h1-3,6-9,11-12H,4-5,10H2,(H,26,27)(H,28,30)
InChIKeyAFPKTDYWSBSIFM-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.08
Rot. Bonds7

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 165415171) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID165415171
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H17F3N6O2/c21-20(22,23)10-31-15-3-1-2-13(6-15)28-19(30)17-18(27-14-7-24-11-25-8-14)26-9-16(29-17)12-4-5-12/h1-3,6-9,11-12H,4-5,10H2,(H,26,27)(H,28,30)
InChIKeyAFPKTDYWSBSIFM-UHFFFAOYSA-N
XLogP4.08
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide (CID 165415171) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is AFPKTDYWSBSIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c21-20(22,23)10-31-15-3-1-2-13(6-15)28-19(30)17-18(27-14-7-24-11-25-8-14)26-9-16(29-17)12-4-5-12/h1-3,6-9,11-12H,4-5,10H2,(H,26,27)(H,28,30).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 165415171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).