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

C23H19N3O3 — CID 4916344

IUPAC4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(c1cccc3ccccc13)C2=O
InChIInChI=1S/C23H19N3O3/c1-25-19-13-26(18-8-4-6-14-5-2-3-7-17(14)18)22(28)20(19)21(24-23(25)29)15-9-11-16(27)12-10-15/h2-12,21,27H,13H2,1H3,(H,24,29)
InChIKeyQRZGCHRZBZOINZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.54
Rot. Bonds2

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

4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 4916344) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID4916344
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(c1cccc3ccccc13)C2=O
InChIInChI=1S/C23H19N3O3/c1-25-19-13-26(18-8-4-6-14-5-2-3-7-17(14)18)22(28)20(19)21(24-23(25)29)15-9-11-16(27)12-10-15/h2-12,21,27H,13H2,1H3,(H,24,29)
InChIKeyQRZGCHRZBZOINZ-UHFFFAOYSA-N
XLogP3.54
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 4916344) is 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(c1cccc3ccccc13)C2=O.
What is the InChIKey of 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is QRZGCHRZBZOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-25-19-13-26(18-8-4-6-14-5-2-3-7-17(14)18)22(28)20(19)21(24-23(25)29)15-9-11-16(27)12-10-15/h2-12,21,27H,13H2,1H3,(H,24,29).
What are the key properties of 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-1-methyl-6-naphthalen-1-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 4916344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).