6,7-diphenyl-1H-pteridine-2,4-dione

C18H12N4O2 — CID 5428566

IUPAC6,7-diphenyl-1H-pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C18H12N4O2/c23-17-15-16(21-18(24)22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10H,(H2,20,21,22,23,24)
InChIKeyGOULKEOXQNZISP-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.34
Rot. Bonds2

About 6,7-diphenyl-1H-pteridine-2,4-dione

6,7-diphenyl-1H-pteridine-2,4-dione (PubChem CID 5428566) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6,7-diphenyl-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name6,7-diphenyl-1H-pteridine-2,4-dione
PubChem CID5428566
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name6,7-diphenyl-1H-pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C18H12N4O2/c23-17-15-16(21-18(24)22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10H,(H2,20,21,22,23,24)
InChIKeyGOULKEOXQNZISP-UHFFFAOYSA-N
XLogP2.34
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-diphenyl-1H-pteridine-2,4-dione?
The IUPAC name of 6,7-diphenyl-1H-pteridine-2,4-dione (CID 5428566) is 6,7-diphenyl-1H-pteridine-2,4-dione.
What is the SMILES notation for 6,7-diphenyl-1H-pteridine-2,4-dione?
The canonical SMILES for 6,7-diphenyl-1H-pteridine-2,4-dione is O=c1[nH]c(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6,7-diphenyl-1H-pteridine-2,4-dione?
The InChIKey is GOULKEOXQNZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-17-15-16(21-18(24)22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10H,(H2,20,21,22,23,24).
What are the key properties of 6,7-diphenyl-1H-pteridine-2,4-dione?
6,7-diphenyl-1H-pteridine-2,4-dione has a molecular weight of 316.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenyl-1H-pteridine-2,4-dione is sourced from PubChem (CID 5428566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).