5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine

C7H8BrF2N3O2 — CID 175471183

IUPAC5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC(F)CF)c1Br
InChIInChI=1S/C7H8BrF2N3O2/c1-14-5-4(8)6(13-7(11)12-5)15-3(10)2-9/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyJQSLBKNXIOYROM-UHFFFAOYSA-N
MW284.06 g/mol
LogP1.47
Rot. Bonds4

About 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine

5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine (PubChem CID 175471183) has the molecular formula C7H8BrF2N3O2 and a molecular weight of 284.06 g/mol. Its IUPAC name is 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine
PubChem CID175471183
Molecular FormulaC7H8BrF2N3O2
Molecular Weight284.06 g/mol
Exact Mass282.98
IUPAC Name5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC(F)CF)c1Br
InChIInChI=1S/C7H8BrF2N3O2/c1-14-5-4(8)6(13-7(11)12-5)15-3(10)2-9/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyJQSLBKNXIOYROM-UHFFFAOYSA-N
XLogP1.47
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine (CID 175471183) is 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine is COc1nc(N)nc(OC(F)CF)c1Br.
What is the InChIKey of 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine?
The InChIKey is JQSLBKNXIOYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3O2/c1-14-5-4(8)6(13-7(11)12-5)15-3(10)2-9/h3H,2H2,1H3,(H2,11,12,13).
What are the key properties of 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine?
5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine has a molecular weight of 284.06 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 175471183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).