3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C22H19N3O2 — CID 10066905

IUPAC3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2cc(Cc3ccccc3)cnc21
InChIInChI=1S/C22H19N3O2/c1-24-20-19(13-18(14-23-20)12-16-8-4-2-5-9-16)21(26)25(22(24)27)15-17-10-6-3-7-11-17/h2-11,13-14H,12,15H2,1H3
InChIKeyBMGRMMKTFFEGTJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.73
Rot. Bonds4

About 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 10066905) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID10066905
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2cc(Cc3ccccc3)cnc21
InChIInChI=1S/C22H19N3O2/c1-24-20-19(13-18(14-23-20)12-16-8-4-2-5-9-16)21(26)25(22(24)27)15-17-10-6-3-7-11-17/h2-11,13-14H,12,15H2,1H3
InChIKeyBMGRMMKTFFEGTJ-UHFFFAOYSA-N
XLogP2.73
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 10066905) is 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(Cc3ccccc3)cnc21.
What is the InChIKey of 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BMGRMMKTFFEGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-24-20-19(13-18(14-23-20)12-16-8-4-2-5-9-16)21(26)25(22(24)27)15-17-10-6-3-7-11-17/h2-11,13-14H,12,15H2,1H3.
What are the key properties of 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10066905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).