5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one

C17H13BrF2N4O2 — CID 21089691

IUPAC5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnccn1
InChIInChI=1S/C17H13BrF2N4O2/c1-10-23-16(26-9-11-2-3-12(19)6-14(11)20)15(18)17(25)24(10)8-13-7-21-4-5-22-13/h2-7H,8-9H2,1H3
InChIKeyKWYFERLTXSLJIR-UHFFFAOYSA-N
MW423.22 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one

5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one (PubChem CID 21089691) has the molecular formula C17H13BrF2N4O2 and a molecular weight of 423.22 g/mol. Its IUPAC name is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one
PubChem CID21089691
Molecular FormulaC17H13BrF2N4O2
Molecular Weight423.22 g/mol
Exact Mass422.02
IUPAC Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnccn1
InChIInChI=1S/C17H13BrF2N4O2/c1-10-23-16(26-9-11-2-3-12(19)6-14(11)20)15(18)17(25)24(10)8-13-7-21-4-5-22-13/h2-7H,8-9H2,1H3
InChIKeyKWYFERLTXSLJIR-UHFFFAOYSA-N
XLogP3.01
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one (CID 21089691) is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnccn1.
What is the InChIKey of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is KWYFERLTXSLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N4O2/c1-10-23-16(26-9-11-2-3-12(19)6-14(11)20)15(18)17(25)24(10)8-13-7-21-4-5-22-13/h2-7H,8-9H2,1H3.
What are the key properties of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 423.22 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 21089691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).