8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one

C17H22N4O — CID 171384378

IUPAC8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one
SMILESCCN1CC2=C(NC1=O)N(Cc1ccccc1)C(C)C(C)=N2
InChIInChI=1S/C17H22N4O/c1-4-20-11-15-16(19-17(20)22)21(13(3)12(2)18-15)10-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H,19,22)
InChIKeyDWIPPXODEHFFNB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.57
Rot. Bonds3

About 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one

8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one (PubChem CID 171384378) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one.

Molecular Properties

Compound Name8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one
PubChem CID171384378
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one
SMILESCCN1CC2=C(NC1=O)N(Cc1ccccc1)C(C)C(C)=N2
InChIInChI=1S/C17H22N4O/c1-4-20-11-15-16(19-17(20)22)21(13(3)12(2)18-15)10-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H,19,22)
InChIKeyDWIPPXODEHFFNB-UHFFFAOYSA-N
XLogP2.57
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one?
The IUPAC name of 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one (CID 171384378) is 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one.
What is the SMILES notation for 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one?
The canonical SMILES for 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one is CCN1CC2=C(NC1=O)N(Cc1ccccc1)C(C)C(C)=N2.
What is the InChIKey of 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one?
The InChIKey is DWIPPXODEHFFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-20-11-15-16(19-17(20)22)21(13(3)12(2)18-15)10-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H,19,22).
What are the key properties of 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one?
8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-ethyl-6,7-dimethyl-4,7-dihydro-1H-pteridin-2-one is sourced from PubChem (CID 171384378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).