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

C25H23FN4O — CID 18767868

IUPAC5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCC(CNc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C)c1ccccc1
InChIInChI=1S/C25H23FN4O/c1-17(18-6-4-3-5-7-18)16-28-25-29-23(20-12-14-27-15-13-20)22(24(31)30(25)2)19-8-10-21(26)11-9-19/h3-15,17H,16H2,1-2H3,(H,28,29)
InChIKeyMXXQVNVRBQBZGP-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.86
Rot. Bonds6

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

5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 18767868) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
PubChem CID18767868
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCC(CNc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C)c1ccccc1
InChIInChI=1S/C25H23FN4O/c1-17(18-6-4-3-5-7-18)16-28-25-29-23(20-12-14-27-15-13-20)22(24(31)30(25)2)19-8-10-21(26)11-9-19/h3-15,17H,16H2,1-2H3,(H,28,29)
InChIKeyMXXQVNVRBQBZGP-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one (CID 18767868) is 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one is CC(CNc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C)c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is MXXQVNVRBQBZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-17(18-6-4-3-5-7-18)16-28-25-29-23(20-12-14-27-15-13-20)22(24(31)30(25)2)19-8-10-21(26)11-9-19/h3-15,17H,16H2,1-2H3,(H,28,29).
What are the key properties of 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 414.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 18767868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).