5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one

C25H23FN4O — CID 135703020

IUPAC5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCC(CCc1ccccc1)Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C25H23FN4O/c1-17(7-8-18-5-3-2-4-6-18)28-25-29-23(20-13-15-27-16-14-20)22(24(31)30-25)19-9-11-21(26)12-10-19/h2-6,9-17H,7-8H2,1H3,(H2,28,29,30,31)
InChIKeyBRYBZPBPVDEMJR-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.07
Rot. Bonds7

About 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one

5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135703020) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135703020
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCC(CCc1ccccc1)Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C25H23FN4O/c1-17(7-8-18-5-3-2-4-6-18)28-25-29-23(20-13-15-27-16-14-20)22(24(31)30-25)19-9-11-21(26)12-10-19/h2-6,9-17H,7-8H2,1H3,(H2,28,29,30,31)
InChIKeyBRYBZPBPVDEMJR-UHFFFAOYSA-N
XLogP5.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 18767931
2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703021
(2S)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-4-phenylbutanamide
CID 59067855
2-[(3,5-dichlorophenyl)methyl]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135581427
5-(4-fluorophenyl)-2-(2-phenoxyethylsulfanyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703022
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
CID 24821523
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692169
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
5-(4-fluorophenyl)-3-methyl-2-[[(3R)-3-phenyl-3-(propan-2-ylamino)propyl]amino]-6-pyridin-4-ylpyrimidin-4-one
CID 22091809
2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767896
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22091783
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one;2-[[(3S)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 70347090

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135703020) is 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one is CC(CCc1ccccc1)Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is BRYBZPBPVDEMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-17(7-8-18-5-3-2-4-6-18)28-25-29-23(20-13-15-27-16-14-20)22(24(31)30-25)19-9-11-21(26)12-10-19/h2-6,9-17H,7-8H2,1H3,(H2,28,29,30,31).
What are the key properties of 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 414.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135703020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).