3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C21H16FN3O2 — CID 10451222

IUPAC3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C21H16FN3O2/c1-24-19-18(17(11-12-23-19)15-7-9-16(22)10-8-15)20(26)25(21(24)27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyWBEKXKJDHDOZRN-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.95
Rot. Bonds3

About 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 10451222) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID10451222
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C21H16FN3O2/c1-24-19-18(17(11-12-23-19)15-7-9-16(22)10-8-15)20(26)25(21(24)27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyWBEKXKJDHDOZRN-UHFFFAOYSA-N
XLogP2.95
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 10451222) is 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3ccc(F)cc3)ccnc21.
What is the InChIKey of 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WBEKXKJDHDOZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-24-19-18(17(11-12-23-19)15-7-9-16(22)10-8-15)20(26)25(21(24)27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 361.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10451222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).