6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

C24H27N3O2 — CID 146657356

IUPAC6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(C)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H27N3O2/c1-3-26-22-13-14-25(15-19-7-5-4-6-8-19)17-21(22)23(28)27(24(26)29)16-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3
InChIKeyXAWCBNCSEFWKFY-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.94
Rot. Bonds5

About 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 146657356) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID146657356
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(C)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H27N3O2/c1-3-26-22-13-14-25(15-19-7-5-4-6-8-19)17-21(22)23(28)27(24(26)29)16-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3
InChIKeyXAWCBNCSEFWKFY-UHFFFAOYSA-N
XLogP2.94
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 146657356) is 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is CCn1c2c(c(=O)n(Cc3ccc(C)cc3)c1=O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is XAWCBNCSEFWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-26-22-13-14-25(15-19-7-5-4-6-8-19)17-21(22)23(28)27(24(26)29)16-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3.
What are the key properties of 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 389.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146657356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).