1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C21H20N4O2 — CID 664496

IUPAC1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-7-9-15(10-8-14)19-18-17(23(2)21(27)24(3)20(18)26)13-25(19)12-16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3
InChIKeyTUZISPYXVRGKAU-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.46
Rot. Bonds3

About 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 664496) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID664496
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-7-9-15(10-8-14)19-18-17(23(2)21(27)24(3)20(18)26)13-25(19)12-16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3
InChIKeyTUZISPYXVRGKAU-UHFFFAOYSA-N
XLogP2.46
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-3-carboxamide
CID 118341355
1,3-dimethyl-5-(3-methylphenyl)-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663643
6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664394
1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664477
6-(3,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665353
1,3,10-trimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
CID 753710
3,9,11-trimethylpyrimido[5',4':3,4]pyrrolo[2,1-a]isoquinoline-10,12(9H,11H)-dione
CID 937357
6-Benzyl-1,3-dimethyl-5-p-tolyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 1992652
7,9-dimethyl-11-(4-methylphenyl)-6-propylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CID 5014915
6-butyl-7,9-dimethyl-11-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CID 5014916
7,9-dimethyl-11-(3-methylphenyl)-6-propylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CID 5015183

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 664496) is 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1.
What is the InChIKey of 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is TUZISPYXVRGKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-7-9-15(10-8-14)19-18-17(23(2)21(27)24(3)20(18)26)13-25(19)12-16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 360.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 664496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).