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

C19H17N3O3 — CID 3851827

IUPAC4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(c1ccccc1)C2=O
InChIInChI=1S/C19H17N3O3/c1-21-15-11-22(13-5-3-2-4-6-13)18(24)16(15)17(20-19(21)25)12-7-9-14(23)10-8-12/h2-10,17,23H,11H2,1H3,(H,20,25)
InChIKeyDYORHNZNGIKQHQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.39
Rot. Bonds2

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

4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 3851827) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID3851827
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(c1ccccc1)C2=O
InChIInChI=1S/C19H17N3O3/c1-21-15-11-22(13-5-3-2-4-6-13)18(24)16(15)17(20-19(21)25)12-7-9-14(23)10-8-12/h2-10,17,23H,11H2,1H3,(H,20,25)
InChIKeyDYORHNZNGIKQHQ-UHFFFAOYSA-N
XLogP2.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.39
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-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 3851827) is 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(c1ccccc1)C2=O.
What is the InChIKey of 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DYORHNZNGIKQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-15-11-22(13-5-3-2-4-6-13)18(24)16(15)17(20-19(21)25)12-7-9-14(23)10-8-12/h2-10,17,23H,11H2,1H3,(H,20,25).
What are the key properties of 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
4-(4-hydroxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 335.36 g/mol, XLogP of 2.39, 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-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3851827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).