5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine

C7H9BrFN3O2 — CID 164908297

IUPAC5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OCCF)c1Br
InChIInChI=1S/C7H9BrFN3O2/c1-13-5-4(8)6(14-3-2-9)12-7(10)11-5/h2-3H2,1H3,(H2,10,11,12)
InChIKeyDXZANVQOULYEIE-UHFFFAOYSA-N
MW266.07 g/mol
LogP1.18
Rot. Bonds4

About 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine

5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine (PubChem CID 164908297) has the molecular formula C7H9BrFN3O2 and a molecular weight of 266.07 g/mol. Its IUPAC name is 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine
PubChem CID164908297
Molecular FormulaC7H9BrFN3O2
Molecular Weight266.07 g/mol
Exact Mass264.99
IUPAC Name5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OCCF)c1Br
InChIInChI=1S/C7H9BrFN3O2/c1-13-5-4(8)6(14-3-2-9)12-7(10)11-5/h2-3H2,1H3,(H2,10,11,12)
InChIKeyDXZANVQOULYEIE-UHFFFAOYSA-N
XLogP1.18
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine (CID 164908297) is 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine is COc1nc(N)nc(OCCF)c1Br.
What is the InChIKey of 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine?
The InChIKey is DXZANVQOULYEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFN3O2/c1-13-5-4(8)6(14-3-2-9)12-7(10)11-5/h2-3H2,1H3,(H2,10,11,12).
What are the key properties of 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine?
5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine has a molecular weight of 266.07 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-fluoroethoxy)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 164908297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).