6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H17N3O — CID 135472211

IUPAC6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17N3O/c1-11-16-14-7-8-18(10-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,17,19)
InChIKeyIGVWHXWXRQGWDW-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.64
Rot. Bonds2

About 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135472211) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135472211
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17N3O/c1-11-16-14-7-8-18(10-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,17,19)
InChIKeyIGVWHXWXRQGWDW-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135472211) is 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IGVWHXWXRQGWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-16-14-7-8-18(10-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,17,19).
What are the key properties of 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 255.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135472211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).