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

C23H24BrN3O2 — CID 155525032

IUPAC6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(Br)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H24BrN3O2/c1-2-26-21-12-13-25(14-17-6-4-3-5-7-17)16-20(21)22(28)27(23(26)29)15-18-8-10-19(24)11-9-18/h3-11H,2,12-16H2,1H3
InChIKeyGIPVYMAHVZIMHG-UHFFFAOYSA-N
MW454.37 g/mol
LogP3.40
Rot. Bonds5

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

6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 155525032) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID155525032
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(Br)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H24BrN3O2/c1-2-26-21-12-13-25(14-17-6-4-3-5-7-17)16-20(21)22(28)27(23(26)29)15-18-8-10-19(24)11-9-18/h3-11H,2,12-16H2,1H3
InChIKeyGIPVYMAHVZIMHG-UHFFFAOYSA-N
XLogP3.40
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 155525032) is 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is CCn1c2c(c(=O)n(Cc3ccc(Br)cc3)c1=O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is GIPVYMAHVZIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c1-2-26-21-12-13-25(14-17-6-4-3-5-7-17)16-20(21)22(28)27(23(26)29)15-18-8-10-19(24)11-9-18/h3-11H,2,12-16H2,1H3.
What are the key properties of 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 454.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[(4-bromophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155525032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).