1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C28H33N5O3 — CID 46075500

IUPAC1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(CN2CCN(C(=O)CN3CC4=C(C3=O)C(c3ccc(C)cc3)NC(=O)N4C)CC2)cc1
InChIInChI=1S/C28H33N5O3/c1-19-4-8-21(9-5-19)16-31-12-14-32(15-13-31)24(34)18-33-17-23-25(27(33)35)26(29-28(36)30(23)3)22-10-6-20(2)7-11-22/h4-11,26H,12-18H2,1-3H3,(H,29,36)
InChIKeySNDLNURZJVEYPM-UHFFFAOYSA-N
MW487.60 g/mol
LogP2.44
Rot. Bonds5

About 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 46075500) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID46075500
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(CN2CCN(C(=O)CN3CC4=C(C3=O)C(c3ccc(C)cc3)NC(=O)N4C)CC2)cc1
InChIInChI=1S/C28H33N5O3/c1-19-4-8-21(9-5-19)16-31-12-14-32(15-13-31)24(34)18-33-17-23-25(27(33)35)26(29-28(36)30(23)3)22-10-6-20(2)7-11-22/h4-11,26H,12-18H2,1-3H3,(H,29,36)
InChIKeySNDLNURZJVEYPM-UHFFFAOYSA-N
XLogP2.44
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R)-4-(4-fluorophenyl)-1-methyl-6-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004484
4-(4-fluorophenyl)-1-methyl-6-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46075524
(4S)-6-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004481
N-methyl-2-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylacetamide
CID 46075491
N-methyl-2-[(4S)-1-methyl-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylacetamide
CID 93004414
N-ethyl-N-methyl-2-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 42818720
(4S)-1-methyl-4-(4-methylphenyl)-6-propyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7249962
(4S)-1-methyl-6-(3-methylbutyl)-4-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7508314
(4R)-4-(4-fluorophenyl)-1-methyl-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004476
6-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 45498002
6-(2-methoxyethyl)-1-methyl-4-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42792810
(4R)-6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-(2,3-dimethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 98406261

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 46075500) is 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is Cc1ccc(CN2CCN(C(=O)CN3CC4=C(C3=O)C(c3ccc(C)cc3)NC(=O)N4C)CC2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is SNDLNURZJVEYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-19-4-8-21(9-5-19)16-31-12-14-32(15-13-31)24(34)18-33-17-23-25(27(33)35)26(29-28(36)30(23)3)22-10-6-20(2)7-11-22/h4-11,26H,12-18H2,1-3H3,(H,29,36).
What are the key properties of 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 487.60 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 46075500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).