5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione

C16H15N3O3 — CID 10357266

IUPAC5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(/C=C/c3ccccc3)n2O)n(C)c1=O
InChIInChI=1S/C16H15N3O3/c1-17-13-10-12(9-8-11-6-4-3-5-7-11)19(22)14(13)15(20)18(2)16(17)21/h3-10,22H,1-2H3/b9-8+
InChIKeyXZFRPJNOYJFZRJ-CMDGGOBGSA-N
MW297.31 g/mol
LogP1.45
Rot. Bonds2

About 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione

5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10357266) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10357266
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(/C=C/c3ccccc3)n2O)n(C)c1=O
InChIInChI=1S/C16H15N3O3/c1-17-13-10-12(9-8-11-6-4-3-5-7-11)19(22)14(13)15(20)18(2)16(17)21/h3-10,22H,1-2H3/b9-8+
InChIKeyXZFRPJNOYJFZRJ-CMDGGOBGSA-N
XLogP1.45
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-6-phenyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 12267225
6-Butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2018511
6-ethyl-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663566
6-Phenyl-3-propyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9970296
1,3-Dimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9993865
6-Phenyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9995603
5-Hydroxy-1,3-dimethyl-6-naphthalen-2-yl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9996167
5-Methyl-6-phenyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10019225
1,3,5-Trimethyl-6-naphthalen-2-yl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10064540
1,3,5-Trimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10266501
3-Methyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10421804
1,3-dipropyl-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 11267343

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10357266) is 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(cc(/C=C/c3ccccc3)n2O)n(C)c1=O.
What is the InChIKey of 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is XZFRPJNOYJFZRJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-17-13-10-12(9-8-11-6-4-3-5-7-11)19(22)14(13)15(20)18(2)16(17)21/h3-10,22H,1-2H3/b9-8+.
What are the key properties of 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 297.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-dimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10357266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).