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

C18H13BrF2N2O2 — CID 21089612

IUPAC5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ncn1Cc1ccc(F)cc1
InChIInChI=1S/C18H13BrF2N2O2/c19-16-17(25-10-13-3-7-15(21)8-4-13)22-11-23(18(16)24)9-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2
InChIKeyLVAUYEWRGFQKTI-UHFFFAOYSA-N
MW407.21 g/mol
LogP3.91
Rot. Bonds5

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

5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 21089612) has the molecular formula C18H13BrF2N2O2 and a molecular weight of 407.21 g/mol. Its IUPAC name is 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID21089612
Molecular FormulaC18H13BrF2N2O2
Molecular Weight407.21 g/mol
Exact Mass406.01
IUPAC Name5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ncn1Cc1ccc(F)cc1
InChIInChI=1S/C18H13BrF2N2O2/c19-16-17(25-10-13-3-7-15(21)8-4-13)22-11-23(18(16)24)9-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2
InChIKeyLVAUYEWRGFQKTI-UHFFFAOYSA-N
XLogP3.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one (CID 21089612) is 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Br)c(OCc2ccc(F)cc2)ncn1Cc1ccc(F)cc1.
What is the InChIKey of 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is LVAUYEWRGFQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N2O2/c19-16-17(25-10-13-3-7-15(21)8-4-13)22-11-23(18(16)24)9-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2.
What are the key properties of 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 407.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 21089612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).