6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide

C20H17F3N6O — CID 165415156

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)14-5-1-12(2-6-14)7-27-19(30)17-18(28-15-8-24-11-25-9-15)26-10-16(29-17)13-3-4-13/h1-2,5-6,8-11,13H,3-4,7H2,(H,26,28)(H,27,30)
InChIKeyDCQALKJCTLNGMZ-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.84
Rot. Bonds6

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 165415156) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID165415156
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)14-5-1-12(2-6-14)7-27-19(30)17-18(28-15-8-24-11-25-9-15)26-10-16(29-17)13-3-4-13/h1-2,5-6,8-11,13H,3-4,7H2,(H,26,28)(H,27,30)
InChIKeyDCQALKJCTLNGMZ-UHFFFAOYSA-N
XLogP3.84
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide (CID 165415156) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is DCQALKJCTLNGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c21-20(22,23)14-5-1-12(2-6-14)7-27-19(30)17-18(28-15-8-24-11-25-9-15)26-10-16(29-17)13-3-4-13/h1-2,5-6,8-11,13H,3-4,7H2,(H,26,28)(H,27,30).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 165415156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).