6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one

C20H26N4O2 — CID 56738433

IUPAC6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c(=O)n1C
InChIInChI=1S/C20H26N4O2/c1-6-17-13(4)8-15(19(25)23(17)5)20(26)24-10-14-9-21-18(7-12(2)3)22-16(14)11-24/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyZVJJOMOFASKADP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.40
Rot. Bonds4

About 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one

6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one (PubChem CID 56738433) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one
PubChem CID56738433
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c(=O)n1C
InChIInChI=1S/C20H26N4O2/c1-6-17-13(4)8-15(19(25)23(17)5)20(26)24-10-14-9-21-18(7-12(2)3)22-16(14)11-24/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyZVJJOMOFASKADP-UHFFFAOYSA-N
XLogP2.40
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one with MolForge

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Related Compounds

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
N-[2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]acetamide
CID 56738945
N-[2-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
CID 56740037
N-[3-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-1-methyl-3-oxopropyl]acetamide
CID 56741666
2,2-dimethyl-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 71805746
2-amino-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52232905
6-(2-methylpropyl)-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52234090
2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 56730201
2-ethyl-6-[(2-isopropyl-4-methylpyrimidin-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56741514
N-[(2S)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-oxopropan-2-yl]propanamide
CID 95198090
3-Ethyl-1-[(4-methylpyrimidin-2-yl)methyl]pyridin-2-one
CID 132391035
3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-1-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]but-2-en-1-one
CID 138665687

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one?
The IUPAC name of 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one (CID 56738433) is 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one.
What is the SMILES notation for 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one?
The canonical SMILES for 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one is CCc1c(C)cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c(=O)n1C.
What is the InChIKey of 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one?
The InChIKey is ZVJJOMOFASKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-6-17-13(4)8-15(19(25)23(17)5)20(26)24-10-14-9-21-18(7-12(2)3)22-16(14)11-24/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one?
6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,5-dimethyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridin-2-one is sourced from PubChem (CID 56738433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).