6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione

C14H10N4O3 — CID 14003825

IUPAC6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2nc(/C=C/c3ccccc3)c(=O)[nH]c2[nH]1
InChIInChI=1S/C14H10N4O3/c19-12-9(7-6-8-4-2-1-3-5-8)15-10-11(16-12)17-14(21)18-13(10)20/h1-7H,(H3,16,17,18,19,20,21)/b7-6+
InChIKeyFZPRRZWZWHVKSW-VOTSOKGWSA-N
MW282.26 g/mol
LogP0.47
Rot. Bonds2

About 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione

6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione (PubChem CID 14003825) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione.

Molecular Properties

Compound Name6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione
PubChem CID14003825
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2nc(/C=C/c3ccccc3)c(=O)[nH]c2[nH]1
InChIInChI=1S/C14H10N4O3/c19-12-9(7-6-8-4-2-1-3-5-8)15-10-11(16-12)17-14(21)18-13(10)20/h1-7H,(H3,16,17,18,19,20,21)/b7-6+
InChIKeyFZPRRZWZWHVKSW-VOTSOKGWSA-N
XLogP0.47
TPSA111.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione?
The IUPAC name of 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione (CID 14003825) is 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione.
What is the SMILES notation for 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione?
The canonical SMILES for 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione is O=c1[nH]c(=O)c2nc(/C=C/c3ccccc3)c(=O)[nH]c2[nH]1.
What is the InChIKey of 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione?
The InChIKey is FZPRRZWZWHVKSW-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-12-9(7-6-8-4-2-1-3-5-8)15-10-11(16-12)17-14(21)18-13(10)20/h1-7H,(H3,16,17,18,19,20,21)/b7-6+.
What are the key properties of 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione?
6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione has a molecular weight of 282.26 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-phenylethenyl]-1,8-dihydropteridine-2,4,7-trione is sourced from PubChem (CID 14003825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).