2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C23H19FN4O — CID 15463806

IUPAC2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCc2ccccc2)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H19FN4O/c1-28-22(29)20(17-7-9-19(24)10-8-17)21(18-11-13-25-14-12-18)27-23(28)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,27)
InChIKeyAKCSCNNVLSSWOX-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.26
Rot. Bonds5

About 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 15463806) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID15463806
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCc2ccccc2)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H19FN4O/c1-28-22(29)20(17-7-9-19(24)10-8-17)21(18-11-13-25-14-12-18)27-23(28)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,27)
InChIKeyAKCSCNNVLSSWOX-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 15463806) is 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCc2ccccc2)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is AKCSCNNVLSSWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-28-22(29)20(17-7-9-19(24)10-8-17)21(18-11-13-25-14-12-18)27-23(28)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 386.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 15463806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).