N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C21H24N6O — CID 118773443

IUPACN-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2ccc(NC(=O)N3Cc4cnc(CC(C)C)nc4C3)cc2nc1C
InChIInChI=1S/C21H24N6O/c1-12(2)7-20-22-9-15-10-27(11-19(15)26-20)21(28)25-16-5-6-17-18(8-16)24-14(4)13(3)23-17/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,25,28)
InChIKeyLEMKPAYJOITXNO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.78
Rot. Bonds3

About N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 118773443) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID118773443
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2ccc(NC(=O)N3Cc4cnc(CC(C)C)nc4C3)cc2nc1C
InChIInChI=1S/C21H24N6O/c1-12(2)7-20-22-9-15-10-27(11-19(15)26-20)21(28)25-16-5-6-17-18(8-16)24-14(4)13(3)23-17/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,25,28)
InChIKeyLEMKPAYJOITXNO-UHFFFAOYSA-N
XLogP3.78
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 118773443) is N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc2ccc(NC(=O)N3Cc4cnc(CC(C)C)nc4C3)cc2nc1C.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is LEMKPAYJOITXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-12(2)7-20-22-9-15-10-27(11-19(15)26-20)21(28)25-16-5-6-17-18(8-16)24-14(4)13(3)23-17/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,25,28).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118773443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).