1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C23H30N4O3 — CID 4286511

IUPAC1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCc1cc(C)c(C2NC(=O)N(C)C3=C2C(=O)N(CCCN2CCCC2=O)C3)cc1C
InChIInChI=1S/C23H30N4O3/c1-14-11-16(3)17(12-15(14)2)21-20-18(25(4)23(30)24-21)13-27(22(20)29)10-6-9-26-8-5-7-19(26)28/h11-12,21H,5-10,13H2,1-4H3,(H,24,30)
InChIKeyYWOJHHHLOOOQBN-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.42
Rot. Bonds5

About 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 4286511) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID4286511
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCc1cc(C)c(C2NC(=O)N(C)C3=C2C(=O)N(CCCN2CCCC2=O)C3)cc1C
InChIInChI=1S/C23H30N4O3/c1-14-11-16(3)17(12-15(14)2)21-20-18(25(4)23(30)24-21)13-27(22(20)29)10-6-9-26-8-5-7-19(26)28/h11-12,21H,5-10,13H2,1-4H3,(H,24,30)
InChIKeyYWOJHHHLOOOQBN-UHFFFAOYSA-N
XLogP2.42
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

(4S)-1-methyl-6-propyl-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7231417
1-methyl-6-(3-morpholin-4-ylpropyl)-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 5100688
(4R)-1-methyl-6-(2-pyrrolidin-1-ylethyl)-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7249483
4-(2,5-dimethoxyphenyl)-1-methyl-6-(2-piperidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42789217
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
4-(2-fluorophenyl)-1-methyl-6-[3-(2-methylpiperidin-1-yl)propyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 5045822
1-methyl-6-propyl-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 3946285
(4S)-6-butyl-1-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7289262
4-(2,5-dimethoxyphenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42789221
(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
(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
2-[(4S)-4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 93004973

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 4286511) is 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is Cc1cc(C)c(C2NC(=O)N(C)C3=C2C(=O)N(CCCN2CCCC2=O)C3)cc1C.
What is the InChIKey of 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is YWOJHHHLOOOQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-14-11-16(3)17(12-15(14)2)21-20-18(25(4)23(30)24-21)13-27(22(20)29)10-6-9-26-8-5-7-19(26)28/h11-12,21H,5-10,13H2,1-4H3,(H,24,30).
What are the key properties of 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 410.52 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 4286511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).