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

C21H19F2N7O2 — CID 58548226

IUPAC6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H19F2N7O2/c1-30(2)21(32)17-14(23)5-12(22)6-15(17)29-20(31)18-19(27-13-7-24-10-25-8-13)26-9-16(28-18)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,26,27)(H,29,31)
InChIKeyYKRYNJAHHFEFPD-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.12
Rot. Bonds6

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

6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548226) has the molecular formula C21H19F2N7O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548226
Molecular FormulaC21H19F2N7O2
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H19F2N7O2/c1-30(2)21(32)17-14(23)5-12(22)6-15(17)29-20(31)18-19(27-13-7-24-10-25-8-13)26-9-16(28-18)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,26,27)(H,29,31)
InChIKeyYKRYNJAHHFEFPD-UHFFFAOYSA-N
XLogP3.12
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 107867
CID 107867
CID 4848
CID 4848
CID 71405
CID 71405
CID 129989
CID 129989
CID 11518031
CID 11518031
CID 58548152
CID 58548152
CID 58548190
CID 58548190
CID 58548204
CID 58548204
CID 58548211
CID 58548211
CID 58548215
CID 58548215
CID 58548219
CID 58548219
CID 58548285
CID 58548285

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548226) is 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C)C(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is YKRYNJAHHFEFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O2/c1-30(2)21(32)17-14(23)5-12(22)6-15(17)29-20(31)18-19(27-13-7-24-10-25-8-13)26-9-16(28-18)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,26,27)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,5-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).