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

C22H27N3O2 — CID 3354148

IUPAC6-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C2CC4CCC2C4)C3)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-12-4-7-16(13(2)8-12)20-19-18(24(3)22(27)23-20)11-25(21(19)26)17-10-14-5-6-15(17)9-14/h4,7-8,14-15,17,20H,5-6,9-11H2,1-3H3,(H,23,27)
InChIKeyUEFYDUYLRNRCEO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.28
Rot. Bonds2

About 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

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 (PubChem CID 3354148) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID3354148
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C2CC4CCC2C4)C3)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-12-4-7-16(13(2)8-12)20-19-18(24(3)22(27)23-20)11-25(21(19)26)17-10-14-5-6-15(17)9-14/h4,7-8,14-15,17,20H,5-6,9-11H2,1-3H3,(H,23,27)
InChIKeyUEFYDUYLRNRCEO-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
6-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4648270
6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42792889
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
CID 42818814
(4S)-6-cyclohexyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7412141
(4S)-6-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7350303
6-(2-bicyclo[2.2.1]heptanyl)-4-(3-phenoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4287364
6-cyclopropyl-4-(4-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4618597
(4S)-1-methyl-6-propyl-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7231417

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C2CC4CCC2C4)C3)c(C)c1.
What is the InChIKey of 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?
The InChIKey is UEFYDUYLRNRCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-12-4-7-16(13(2)8-12)20-19-18(24(3)22(27)23-20)11-25(21(19)26)17-10-14-5-6-15(17)9-14/h4,7-8,14-15,17,20H,5-6,9-11H2,1-3H3,(H,23,27).
What are the key properties of 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?
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 has a molecular weight of 365.48 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 3354148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).