6-(benzylamino)-1,3-dimethylpteridine-2,4-dione

C15H15N5O2 — CID 2312372

IUPAC6-(benzylamino)-1,3-dimethylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(NCc3ccccc3)cnc2n(C)c1=O
InChIInChI=1S/C15H15N5O2/c1-19-13-12(14(21)20(2)15(19)22)18-11(9-17-13)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeySUFUBBDIVUQKPC-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.64
Rot. Bonds3

About 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione

6-(benzylamino)-1,3-dimethylpteridine-2,4-dione (PubChem CID 2312372) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name6-(benzylamino)-1,3-dimethylpteridine-2,4-dione
PubChem CID2312372
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-(benzylamino)-1,3-dimethylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(NCc3ccccc3)cnc2n(C)c1=O
InChIInChI=1S/C15H15N5O2/c1-19-13-12(14(21)20(2)15(19)22)18-11(9-17-13)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeySUFUBBDIVUQKPC-UHFFFAOYSA-N
XLogP0.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione 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-(benzylamino)-1,3-dimethylpteridine-2,4-dione?
The IUPAC name of 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione (CID 2312372) is 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione.
What is the SMILES notation for 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione?
The canonical SMILES for 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione is Cn1c(=O)c2nc(NCc3ccccc3)cnc2n(C)c1=O.
What is the InChIKey of 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione?
The InChIKey is SUFUBBDIVUQKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19-13-12(14(21)20(2)15(19)22)18-11(9-17-13)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione?
6-(benzylamino)-1,3-dimethylpteridine-2,4-dione has a molecular weight of 297.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-1,3-dimethylpteridine-2,4-dione is sourced from PubChem (CID 2312372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).