5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one

C18H14BrFN2O2 — CID 21090133

IUPAC5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H14BrFN2O2/c19-16-17(24-11-13-5-2-1-3-6-13)21-12-22(18(16)23)10-14-7-4-8-15(20)9-14/h1-9,12H,10-11H2
InChIKeyOIVMRLOFLYWYHN-UHFFFAOYSA-N
MW389.22 g/mol
LogP3.77
Rot. Bonds5

About 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one

5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one (PubChem CID 21090133) has the molecular formula C18H14BrFN2O2 and a molecular weight of 389.22 g/mol. Its IUPAC name is 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
PubChem CID21090133
Molecular FormulaC18H14BrFN2O2
Molecular Weight389.22 g/mol
Exact Mass388.02
IUPAC Name5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H14BrFN2O2/c19-16-17(24-11-13-5-2-1-3-6-13)21-12-22(18(16)23)10-14-7-4-8-15(20)9-14/h1-9,12H,10-11H2
InChIKeyOIVMRLOFLYWYHN-UHFFFAOYSA-N
XLogP3.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1-(3-fluorobenzyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 10194381
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)pyridin-2(1H)-one
CID 10216550
3-Bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10126535
3-Bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10172804
3-Bromo-1-[(2-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10194104
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 10194676
3-Bromo-4-(2,4-difluorobenzyloxy)-1-(2,4-difluorobenzyl)-1h-pyridin-2-one
CID 10238340
3-Bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 10309772
(4-fluorophenyl)methyl 3-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 10453178
3-Bromo-1-(3-fluorobenzyl)-4-(3-fluorobenzyloxy)-1h-pyridin-2-one
CID 11395634
3-Bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 11407599
3-Bromo-1-[(3-fluorophenyl)methyl]-4-[(2,3,4-trifluorophenyl)methoxy]pyridin-2-one
CID 11419350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one (CID 21090133) is 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one is O=c1c(Br)c(OCc2ccccc2)ncn1Cc1cccc(F)c1.
What is the InChIKey of 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
The InChIKey is OIVMRLOFLYWYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O2/c19-16-17(24-11-13-5-2-1-3-6-13)21-12-22(18(16)23)10-14-7-4-8-15(20)9-14/h1-9,12H,10-11H2.
What are the key properties of 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one?
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one has a molecular weight of 389.22 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 21090133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).