3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione

C21H16FN3O2 — CID 41233378

IUPAC3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1Cc1ccccc1
InChIInChI=1S/C21H16FN3O2/c22-17-10-5-4-9-16(17)14-24-18-11-6-12-23-19(18)20(26)25(21(24)27)13-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyYEDNUDJQSCUXQK-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.79
Rot. Bonds4

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

3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 41233378) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID41233378
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1Cc1ccccc1
InChIInChI=1S/C21H16FN3O2/c22-17-10-5-4-9-16(17)14-24-18-11-6-12-23-19(18)20(26)25(21(24)27)13-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyYEDNUDJQSCUXQK-UHFFFAOYSA-N
XLogP2.79
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 41233378) is 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YEDNUDJQSCUXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-17-10-5-4-9-16(17)14-24-18-11-6-12-23-19(18)20(26)25(21(24)27)13-15-7-2-1-3-8-15/h1-12H,13-14H2.
What are the key properties of 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 361.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 41233378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).