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

C15H16FN3O — CID 135919801

IUPAC6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C15H16FN3O/c1-10-17-14-6-7-19(9-13(14)15(20)18-10)8-11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,18,20)
InChIKeyIUMGZSABJPDHAT-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.78
Rot. Bonds2

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

6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135919801) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135919801
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C15H16FN3O/c1-10-17-14-6-7-19(9-13(14)15(20)18-10)8-11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,18,20)
InChIKeyIUMGZSABJPDHAT-UHFFFAOYSA-N
XLogP1.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135919801) is 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IUMGZSABJPDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-17-14-6-7-19(9-13(14)15(20)18-10)8-11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,18,20).
What are the key properties of 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 273.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135919801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).