5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine

C7H8BrF2N3O — CID 82009346

IUPAC5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(OCC(F)F)n1
InChIInChI=1S/C7H8BrF2N3O/c1-11-7-12-2-4(8)6(13-7)14-3-5(9)10/h2,5H,3H2,1H3,(H,11,12,13)
InChIKeyFRXNCJSQHRPPTP-UHFFFAOYSA-N
MW268.06 g/mol
LogP1.92
Rot. Bonds4

About 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine

5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine (PubChem CID 82009346) has the molecular formula C7H8BrF2N3O and a molecular weight of 268.06 g/mol. Its IUPAC name is 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine
PubChem CID82009346
Molecular FormulaC7H8BrF2N3O
Molecular Weight268.06 g/mol
Exact Mass266.98
IUPAC Name5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(OCC(F)F)n1
InChIInChI=1S/C7H8BrF2N3O/c1-11-7-12-2-4(8)6(13-7)14-3-5(9)10/h2,5H,3H2,1H3,(H,11,12,13)
InChIKeyFRXNCJSQHRPPTP-UHFFFAOYSA-N
XLogP1.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(E)-but-2-enoxy]-N-methylpyrimidin-2-amine
CID 80872624
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
CID 80862412
5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80770925
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
4-(2,2-difluoroethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 82009818
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
CID 80872210
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine (CID 82009346) is 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(OCC(F)F)n1.
What is the InChIKey of 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine?
The InChIKey is FRXNCJSQHRPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3O/c1-11-7-12-2-4(8)6(13-7)14-3-5(9)10/h2,5H,3H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine?
5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine has a molecular weight of 268.06 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 82009346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).