4-benzyl-6,7-dimethylpteridine

C15H14N4 — CID 154180418

IUPAC4-benzyl-6,7-dimethylpteridine
SMILESCc1nc2ncnc(Cc3ccccc3)c2nc1C
InChIInChI=1S/C15H14N4/c1-10-11(2)19-15-14(18-10)13(16-9-17-15)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyJSKUCHUJILKKOS-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.63
Rot. Bonds2

About 4-benzyl-6,7-dimethylpteridine

4-benzyl-6,7-dimethylpteridine (PubChem CID 154180418) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-benzyl-6,7-dimethylpteridine.

Molecular Properties

Compound Name4-benzyl-6,7-dimethylpteridine
PubChem CID154180418
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-benzyl-6,7-dimethylpteridine
SMILESCc1nc2ncnc(Cc3ccccc3)c2nc1C
InChIInChI=1S/C15H14N4/c1-10-11(2)19-15-14(18-10)13(16-9-17-15)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyJSKUCHUJILKKOS-UHFFFAOYSA-N
XLogP2.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6,7-dimethylpteridine?
The IUPAC name of 4-benzyl-6,7-dimethylpteridine (CID 154180418) is 4-benzyl-6,7-dimethylpteridine.
What is the SMILES notation for 4-benzyl-6,7-dimethylpteridine?
The canonical SMILES for 4-benzyl-6,7-dimethylpteridine is Cc1nc2ncnc(Cc3ccccc3)c2nc1C.
What is the InChIKey of 4-benzyl-6,7-dimethylpteridine?
The InChIKey is JSKUCHUJILKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-10-11(2)19-15-14(18-10)13(16-9-17-15)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-benzyl-6,7-dimethylpteridine?
4-benzyl-6,7-dimethylpteridine has a molecular weight of 250.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6,7-dimethylpteridine is sourced from PubChem (CID 154180418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).