1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

C24H25N3O2 — CID 5298072

IUPAC1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(C)cc1)N2Cc1ccccc1
InChIInChI=1S/C24H25N3O2/c1-16-9-11-19(12-10-16)22-26-24(28)21-20(15-29-3)13-17(2)25-23(21)27(22)14-18-7-5-4-6-8-18/h4-13,22H,14-15H2,1-3H3,(H,26,28)
InChIKeyUFFVTUBESARHQD-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.29
Rot. Bonds5

About 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 5298072) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID5298072
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(C)cc1)N2Cc1ccccc1
InChIInChI=1S/C24H25N3O2/c1-16-9-11-19(12-10-16)22-26-24(28)21-20(15-29-3)13-17(2)25-23(21)27(22)14-18-7-5-4-6-8-18/h4-13,22H,14-15H2,1-3H3,(H,26,28)
InChIKeyUFFVTUBESARHQD-UHFFFAOYSA-N
XLogP4.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 5298072) is 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is COCc1cc(C)nc2c1C(=O)NC(c1ccc(C)cc1)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UFFVTUBESARHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16-9-11-19(12-10-16)22-26-24(28)21-20(15-29-3)13-17(2)25-23(21)27(22)14-18-7-5-4-6-8-18/h4-13,22H,14-15H2,1-3H3,(H,26,28).
What are the key properties of 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 387.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5298072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).