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

C20H18BrF2N5O4 — CID 21089466

IUPAC5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(C(=O)NCCO)cn1
InChIInChI=1S/C20H18BrF2N5O4/c1-11-27-19(32-10-12-2-3-13(22)6-15(12)23)17(21)20(31)28(11)9-14-7-26-16(8-25-14)18(30)24-4-5-29/h2-3,6-8,29H,4-5,9-10H2,1H3,(H,24,30)
InChIKeyWUIVZPFPLHOQCW-UHFFFAOYSA-N
MW510.30 g/mol
LogP1.73
Rot. Bonds8

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

5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide (PubChem CID 21089466) has the molecular formula C20H18BrF2N5O4 and a molecular weight of 510.30 g/mol. Its IUPAC name is 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
PubChem CID21089466
Molecular FormulaC20H18BrF2N5O4
Molecular Weight510.30 g/mol
Exact Mass509.05
IUPAC Name5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(C(=O)NCCO)cn1
InChIInChI=1S/C20H18BrF2N5O4/c1-11-27-19(32-10-12-2-3-13(22)6-15(12)23)17(21)20(31)28(11)9-14-7-26-16(8-25-14)18(30)24-4-5-29/h2-3,6-8,29H,4-5,9-10H2,1H3,(H,24,30)
InChIKeyWUIVZPFPLHOQCW-UHFFFAOYSA-N
XLogP1.73
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide (CID 21089466) is 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(C(=O)NCCO)cn1.
What is the InChIKey of 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The InChIKey is WUIVZPFPLHOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF2N5O4/c1-11-27-19(32-10-12-2-3-13(22)6-15(12)23)17(21)20(31)28(11)9-14-7-26-16(8-25-14)18(30)24-4-5-29/h2-3,6-8,29H,4-5,9-10H2,1H3,(H,24,30).
What are the key properties of 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide has a molecular weight of 510.30 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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]methyl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 21089466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).