1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione

C20H16N4O2 — CID 71399040

IUPAC1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
SMILESCn1c(=O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc2n(C)c1=O
InChIInChI=1S/C20H16N4O2/c1-23-18-17(19(25)24(2)20(23)26)21-12-16(22-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyRKRSOYNDOVZANV-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.36
Rot. Bonds2

About 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione

1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione (PubChem CID 71399040) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
PubChem CID71399040
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
SMILESCn1c(=O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc2n(C)c1=O
InChIInChI=1S/C20H16N4O2/c1-23-18-17(19(25)24(2)20(23)26)21-12-16(22-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyRKRSOYNDOVZANV-UHFFFAOYSA-N
XLogP2.36
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione (CID 71399040) is 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione is Cn1c(=O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione?
The InChIKey is RKRSOYNDOVZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-23-18-17(19(25)24(2)20(23)26)21-12-16(22-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione?
1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione is sourced from PubChem (CID 71399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).