5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine

C17H16BrF2N5O — CID 141127748

IUPAC5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine
SMILESCC1N=C(OCc2ccc(F)cc2F)C(Br)=CN1Cc1cnc(N)cn1
InChIInChI=1S/C17H16BrF2N5O/c1-10-24-17(26-9-11-2-3-12(19)4-15(11)20)14(18)8-25(10)7-13-5-23-16(21)6-22-13/h2-6,8,10H,7,9H2,1H3,(H2,21,23)
InChIKeyXQGHSALEGHMYRT-UHFFFAOYSA-N
MW424.25 g/mol
LogP3.35
Rot. Bonds4

About 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine

5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine (PubChem CID 141127748) has the molecular formula C17H16BrF2N5O and a molecular weight of 424.25 g/mol. Its IUPAC name is 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine
PubChem CID141127748
Molecular FormulaC17H16BrF2N5O
Molecular Weight424.25 g/mol
Exact Mass423.05
IUPAC Name5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine
SMILESCC1N=C(OCc2ccc(F)cc2F)C(Br)=CN1Cc1cnc(N)cn1
InChIInChI=1S/C17H16BrF2N5O/c1-10-24-17(26-9-11-2-3-12(19)4-15(11)20)14(18)8-25(10)7-13-5-23-16(21)6-22-13/h2-6,8,10H,7,9H2,1H3,(H2,21,23)
InChIKeyXQGHSALEGHMYRT-UHFFFAOYSA-N
XLogP3.35
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 53.35
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-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine?
The IUPAC name of 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine (CID 141127748) is 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine is CC1N=C(OCc2ccc(F)cc2F)C(Br)=CN1Cc1cnc(N)cn1.
What is the InChIKey of 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine?
The InChIKey is XQGHSALEGHMYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N5O/c1-10-24-17(26-9-11-2-3-12(19)4-15(11)20)14(18)8-25(10)7-13-5-23-16(21)6-22-13/h2-6,8,10H,7,9H2,1H3,(H2,21,23).
What are the key properties of 5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine?
5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine has a molecular weight of 424.25 g/mol, XLogP of 3.35, 4 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-2H-pyrimidin-1-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 141127748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).