6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C24H27N7O4 — CID 58548151

IUPAC6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(OCC(C)(C)O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H27N7O4/c1-24(2,34)12-35-16-6-7-18(17(8-16)22(32)25-3)31-23(33)20-21(29-15-9-26-13-27-10-15)28-11-19(30-20)14-4-5-14/h6-11,13-14,34H,4-5,12H2,1-3H3,(H,25,32)(H,28,29)(H,31,33)
InChIKeyBJXDTXDRKYIJRV-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.65
Rot. Bonds9

About 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548151) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548151
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(OCC(C)(C)O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H27N7O4/c1-24(2,34)12-35-16-6-7-18(17(8-16)22(32)25-3)31-23(33)20-21(29-15-9-26-13-27-10-15)28-11-19(30-20)14-4-5-14/h6-11,13-14,34H,4-5,12H2,1-3H3,(H,25,32)(H,28,29)(H,31,33)
InChIKeyBJXDTXDRKYIJRV-UHFFFAOYSA-N
XLogP2.65
TPSA151.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548151) is 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1cc(OCC(C)(C)O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BJXDTXDRKYIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-24(2,34)12-35-16-6-7-18(17(8-16)22(32)25-3)31-23(33)20-21(29-15-9-26-13-27-10-15)28-11-19(30-20)14-4-5-14/h6-11,13-14,34H,4-5,12H2,1-3H3,(H,25,32)(H,28,29)(H,31,33).
What are the key properties of 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 2.65, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).