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

C17H19FN4O — CID 110089500

IUPAC8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCNCc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2
InChIInChI=1S/C17H19FN4O/c1-11-14-7-8-16(23)22(10-12-3-5-13(18)6-4-12)17(14)21-15(20-11)9-19-2/h3-6,19H,7-10H2,1-2H3
InChIKeyDTKULKAJVLVRSW-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.12
Rot. Bonds4

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

8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110089500) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110089500
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCNCc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2
InChIInChI=1S/C17H19FN4O/c1-11-14-7-8-16(23)22(10-12-3-5-13(18)6-4-12)17(14)21-15(20-11)9-19-2/h3-6,19H,7-10H2,1-2H3
InChIKeyDTKULKAJVLVRSW-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110089500) is 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CNCc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DTKULKAJVLVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11-14-7-8-16(23)22(10-12-3-5-13(18)6-4-12)17(14)21-15(20-11)9-19-2/h3-6,19H,7-10H2,1-2H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 314.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-4-methyl-2-(methylaminomethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).