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

C19H17FN6O — CID 165415249

IUPAC6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H17FN6O/c20-14-3-1-2-12(6-14)7-24-19(27)17-18(25-15-8-21-11-22-9-15)23-10-16(26-17)13-4-5-13/h1-3,6,8-11,13H,4-5,7H2,(H,23,25)(H,24,27)
InChIKeyKGMIVZIIGNYHMS-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.96
Rot. Bonds6

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

6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415249) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415249
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H17FN6O/c20-14-3-1-2-12(6-14)7-24-19(27)17-18(25-15-8-21-11-22-9-15)23-10-16(26-17)13-4-5-13/h1-3,6,8-11,13H,4-5,7H2,(H,23,25)(H,24,27)
InChIKeyKGMIVZIIGNYHMS-UHFFFAOYSA-N
XLogP2.96
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Darovasertib
CID 118873253
Las-101057
CID 16071896
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548204
N-[2-(azetidine-1-carbonyl)-5-fluorophenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548219
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
6-cyclopropyl-N-[2-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548413
6-cyclopropyl-N-[6-ethyl-2-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548416

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415249) is 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCc1cccc(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is KGMIVZIIGNYHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-14-3-1-2-12(6-14)7-24-19(27)17-18(25-15-8-21-11-22-9-15)23-10-16(26-17)13-4-5-13/h1-3,6,8-11,13H,4-5,7H2,(H,23,25)(H,24,27).
What are the key properties of 6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.96, 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-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).