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

C19H16F2N6O — CID 165415224

IUPAC6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H16F2N6O/c20-14-4-1-11(5-15(14)21)6-25-19(28)17-18(26-13-7-22-10-23-8-13)24-9-16(27-17)12-2-3-12/h1,4-5,7-10,12H,2-3,6H2,(H,24,26)(H,25,28)
InChIKeyCJGAGZJGNPPJCZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.10
Rot. Bonds6

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

6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415224) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415224
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H16F2N6O/c20-14-4-1-11(5-15(14)21)6-25-19(28)17-18(26-13-7-22-10-23-8-13)24-9-16(27-17)12-2-3-12/h1,4-5,7-10,12H,2-3,6H2,(H,24,26)(H,25,28)
InChIKeyCJGAGZJGNPPJCZ-UHFFFAOYSA-N
XLogP3.10
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415224) is 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is CJGAGZJGNPPJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c20-14-4-1-11(5-15(14)21)6-25-19(28)17-18(26-13-7-22-10-23-8-13)24-9-16(27-17)12-2-3-12/h1,4-5,7-10,12H,2-3,6H2,(H,24,26)(H,25,28).
What are the key properties of 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).