7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one

C16H15N3O — CID 134914628

IUPAC7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(C)cnc2nc1Cc1ccccc1
InChIInChI=1S/C16H15N3O/c1-11-8-13-15(17-10-19(2)16(13)20)18-14(11)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3
InChIKeyIJFWTWFTDADPQF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.23
Rot. Bonds2

About 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one

7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 134914628) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one
PubChem CID134914628
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(C)cnc2nc1Cc1ccccc1
InChIInChI=1S/C16H15N3O/c1-11-8-13-15(17-10-19(2)16(13)20)18-14(11)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3
InChIKeyIJFWTWFTDADPQF-UHFFFAOYSA-N
XLogP2.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one (CID 134914628) is 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(C)cnc2nc1Cc1ccccc1.
What is the InChIKey of 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IJFWTWFTDADPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-8-13-15(17-10-19(2)16(13)20)18-14(11)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one?
7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3,6-dimethylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 134914628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).