6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C21H25N3O3 — CID 3985618

IUPAC6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccccc1C1NC(=O)N(C)C2=C1C(=O)N(C1CC3CCC1C3)C2
InChIInChI=1S/C21H25N3O3/c1-23-16-11-24(15-10-12-7-8-13(15)9-12)20(25)18(16)19(22-21(23)26)14-5-3-4-6-17(14)27-2/h3-6,12-13,15,19H,7-11H2,1-2H3,(H,22,26)
InChIKeyJLOFVMOPJLPBET-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds3

About 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 3985618) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID3985618
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccccc1C1NC(=O)N(C)C2=C1C(=O)N(C1CC3CCC1C3)C2
InChIInChI=1S/C21H25N3O3/c1-23-16-11-24(15-10-12-7-8-13(15)9-12)20(25)18(16)19(22-21(23)26)14-5-3-4-6-17(14)27-2/h3-6,12-13,15,19H,7-11H2,1-2H3,(H,22,26)
InChIKeyJLOFVMOPJLPBET-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

6-(2-bicyclo[2.2.1]heptanyl)-4-(3,5-dimethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 5072084
(4S)-6-cyclohexyl-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7256765
6-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 3354148
(4R)-4-(2-methoxyphenyl)-1-methyl-6-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7328046
6-(2-bicyclo[2.2.1]heptanyl)-1-methyl-4-(4-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42792925
(4S)-4-(2-methoxyphenyl)-1-methyl-6-[(2R)-4-phenylbutan-2-yl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7360505
4-(2-methoxyphenyl)-1-methyl-6-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46075735
(4R)-4-(2-methoxyphenyl)-1-methyl-6-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004899
(4S)-4-(2-methoxyphenyl)-1-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004910
N-cyclohexyl-2-[4-(2-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 46168373
3-[(4S)-4-(2-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 93004908
(4S)-4-(2-methoxyphenyl)-1-methyl-6-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7499145

Frequently Asked Questions

What is the IUPAC name of 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 3985618) is 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is COc1ccccc1C1NC(=O)N(C)C2=C1C(=O)N(C1CC3CCC1C3)C2.
What is the InChIKey of 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is JLOFVMOPJLPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23-16-11-24(15-10-12-7-8-13(15)9-12)20(25)18(16)19(22-21(23)26)14-5-3-4-6-17(14)27-2/h3-6,12-13,15,19H,7-11H2,1-2H3,(H,22,26).
What are the key properties of 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 367.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3985618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).