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

C23H24FN3O2 — CID 155511926

IUPAC6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(F)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H24FN3O2/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
InChIKeyWXLLYZIOBNCWKE-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.78
Rot. Bonds5

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

6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 155511926) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID155511926
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(F)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H24FN3O2/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
InChIKeyWXLLYZIOBNCWKE-UHFFFAOYSA-N
XLogP2.78
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 155511926) is 6-benzyl-1-ethyl-3-[(4-fluorophenyl)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-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is CCn1c2c(c(=O)n(Cc3ccc(F)cc3)c1=O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is WXLLYZIOBNCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/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-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
6-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 393.46 g/mol, XLogP of 2.78, 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-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155511926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).