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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Related Compounds

4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
CID 175471206
3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine
CID 130109372
3,5-difluoro-2,6-dimethoxypyridin-4-amine
CID 170648727
4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 175471466
3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
CID 130068796
6-bromo-5-methoxy-1-oxido-1,2,4-triazin-1-ium-3-amine
CID 59837820
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
CID 83867203
4-bromo-1-tert-butyl-5-(difluoromethyl)-3-methoxypyrazole
CID 153449588
2-amino-4-methoxy-6-methylpyrimidine-5-selenol
CID 154295666
1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471127
3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile
CID 164908424
(5-bromo-6-methoxy-4-methyl-2-pyridinyl)methanamine
CID 178084795

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).