5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide

C17H12BrF2N3O4 — CID 21089458

IUPAC5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(N)=O)o1
InChIInChI=1S/C17H12BrF2N3O4/c1-8-22-16(26-7-9-2-3-10(19)6-11(9)20)14(18)17(25)23(8)13-5-4-12(27-13)15(21)24/h2-6H,7H2,1H3,(H2,21,24)
InChIKeyDCHVMNPWTYVSOT-UHFFFAOYSA-N
MW440.20 g/mol
LogP2.85
Rot. Bonds5

About 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide

5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide (PubChem CID 21089458) has the molecular formula C17H12BrF2N3O4 and a molecular weight of 440.20 g/mol. Its IUPAC name is 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide
PubChem CID21089458
Molecular FormulaC17H12BrF2N3O4
Molecular Weight440.20 g/mol
Exact Mass439.00
IUPAC Name5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(N)=O)o1
InChIInChI=1S/C17H12BrF2N3O4/c1-8-22-16(26-7-9-2-3-10(19)6-11(9)20)14(18)17(25)23(8)13-5-4-12(27-13)15(21)24/h2-6H,7H2,1H3,(H2,21,24)
InChIKeyDCHVMNPWTYVSOT-UHFFFAOYSA-N
XLogP2.85
TPSA100.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide?
The IUPAC name of 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide (CID 21089458) is 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide?
The canonical SMILES for 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(N)=O)o1.
What is the InChIKey of 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide?
The InChIKey is DCHVMNPWTYVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2N3O4/c1-8-22-16(26-7-9-2-3-10(19)6-11(9)20)14(18)17(25)23(8)13-5-4-12(27-13)15(21)24/h2-6H,7H2,1H3,(H2,21,24).
What are the key properties of 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide?
5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide has a molecular weight of 440.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]furan-2-carboxamide is sourced from PubChem (CID 21089458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).