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

C19H15F3N6O2 — CID 165415264

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H15F3N6O2/c20-19(21,22)30-14-3-1-2-12(6-14)27-18(29)16-17(26-13-7-23-10-24-8-13)25-9-15(28-16)11-4-5-11/h1-3,6-11H,4-5H2,(H,25,26)(H,27,29)
InChIKeyPSRSEAKWTHRLOQ-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.04
Rot. Bonds6

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

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 165415264) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID165415264
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H15F3N6O2/c20-19(21,22)30-14-3-1-2-12(6-14)27-18(29)16-17(26-13-7-23-10-24-8-13)25-9-15(28-16)11-4-5-11/h1-3,6-11H,4-5H2,(H,25,26)(H,27,29)
InChIKeyPSRSEAKWTHRLOQ-UHFFFAOYSA-N
XLogP4.04
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.04
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-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 165415264) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is PSRSEAKWTHRLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c20-19(21,22)30-14-3-1-2-12(6-14)27-18(29)16-17(26-13-7-23-10-24-8-13)25-9-15(28-16)11-4-5-11/h1-3,6-11H,4-5H2,(H,25,26)(H,27,29).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 4.04, 6 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-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 165415264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).