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

C20H19N3O4 — CID 5301792

IUPAC4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1cc(C2NC(=O)N(C)C3=C2C(=O)N(c2ccccc2)C3)ccc1O
InChIInChI=1S/C20H19N3O4/c1-22-14-11-23(13-6-4-3-5-7-13)19(25)17(14)18(21-20(22)26)12-8-9-15(24)16(10-12)27-2/h3-10,18,24H,11H2,1-2H3,(H,21,26)
InChIKeyZSZONMPLOHEJMU-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.40
Rot. Bonds3

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

4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 5301792) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID5301792
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1cc(C2NC(=O)N(C)C3=C2C(=O)N(c2ccccc2)C3)ccc1O
InChIInChI=1S/C20H19N3O4/c1-22-14-11-23(13-6-4-3-5-7-13)19(25)17(14)18(21-20(22)26)12-8-9-15(24)16(10-12)27-2/h3-10,18,24H,11H2,1-2H3,(H,21,26)
InChIKeyZSZONMPLOHEJMU-UHFFFAOYSA-N
XLogP2.40
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(4-hydroxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4917496
5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one
CID 3732683
Benzyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2855847
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3238905
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54683760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54706880
(4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one
CID 131974340
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 141753615
N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide
CID 164617769
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 164628455
5-fluoro-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 164628597
Cds1_004056
CID 2841632

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 5301792) is 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is COc1cc(C2NC(=O)N(C)C3=C2C(=O)N(c2ccccc2)C3)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is ZSZONMPLOHEJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-22-14-11-23(13-6-4-3-5-7-13)19(25)17(14)18(21-20(22)26)12-8-9-15(24)16(10-12)27-2/h3-10,18,24H,11H2,1-2H3,(H,21,26).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 365.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 5301792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).