8-benzyl-6-methylpteridin-7-one

C14H12N4O — CID 3232998

IUPAC8-benzyl-6-methylpteridin-7-one
SMILESCc1nc2cncnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12N4O/c1-10-14(19)18(8-11-5-3-2-4-6-11)13-12(17-10)7-15-9-16-13/h2-7,9H,8H2,1H3
InChIKeyMMABNRDFGFQZCM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.54
Rot. Bonds2

About 8-benzyl-6-methylpteridin-7-one

8-benzyl-6-methylpteridin-7-one (PubChem CID 3232998) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 8-benzyl-6-methylpteridin-7-one.

Molecular Properties

Compound Name8-benzyl-6-methylpteridin-7-one
PubChem CID3232998
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name8-benzyl-6-methylpteridin-7-one
SMILESCc1nc2cncnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12N4O/c1-10-14(19)18(8-11-5-3-2-4-6-11)13-12(17-10)7-15-9-16-13/h2-7,9H,8H2,1H3
InChIKeyMMABNRDFGFQZCM-UHFFFAOYSA-N
XLogP1.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-methylpteridin-7-one?
The IUPAC name of 8-benzyl-6-methylpteridin-7-one (CID 3232998) is 8-benzyl-6-methylpteridin-7-one.
What is the SMILES notation for 8-benzyl-6-methylpteridin-7-one?
The canonical SMILES for 8-benzyl-6-methylpteridin-7-one is Cc1nc2cncnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 8-benzyl-6-methylpteridin-7-one?
The InChIKey is MMABNRDFGFQZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-14(19)18(8-11-5-3-2-4-6-11)13-12(17-10)7-15-9-16-13/h2-7,9H,8H2,1H3.
What are the key properties of 8-benzyl-6-methylpteridin-7-one?
8-benzyl-6-methylpteridin-7-one has a molecular weight of 252.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-methylpteridin-7-one is sourced from PubChem (CID 3232998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).