6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H21FN4O — CID 136780292

IUPAC6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccccc2F)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H21FN4O/c22-18-9-5-4-8-16(18)12-23-21-24-19-10-11-26(14-17(19)20(27)25-21)13-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,23,24,25,27)
InChIKeyBLZLLDWFYFOCCA-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.08
Rot. Bonds5

About 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136780292) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136780292
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccccc2F)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H21FN4O/c22-18-9-5-4-8-16(18)12-23-21-24-19-10-11-26(14-17(19)20(27)25-21)13-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,23,24,25,27)
InChIKeyBLZLLDWFYFOCCA-UHFFFAOYSA-N
XLogP3.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136780292) is 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(NCc2ccccc2F)nc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BLZLLDWFYFOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-9-5-4-8-16(18)12-23-21-24-19-10-11-26(14-17(19)20(27)25-21)13-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,23,24,25,27).
What are the key properties of 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 364.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(2-fluorophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136780292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).