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

C21H21N7O2 — CID 58548254

IUPAC6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(C)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H21N7O2/c1-12-4-3-5-15(17(12)20(29)22-2)28-21(30)18-19(26-14-8-23-11-24-9-14)25-10-16(27-18)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeySCLNQXLTPAFQNR-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.81
Rot. Bonds6

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

6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548254) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548254
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(C)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H21N7O2/c1-12-4-3-5-15(17(12)20(29)22-2)28-21(30)18-19(26-14-8-23-11-24-9-14)25-10-16(27-18)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeySCLNQXLTPAFQNR-UHFFFAOYSA-N
XLogP2.81
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548254) is 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(C)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is SCLNQXLTPAFQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-12-4-3-5-15(17(12)20(29)22-2)28-21(30)18-19(26-14-8-23-11-24-9-14)25-10-16(27-18)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,22,29)(H,25,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-methyl-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).