5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine

C10H12BrFN2O2 — CID 87977028

IUPAC5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine
SMILESCOc1nc(C2CC2)nc(OCCF)c1Br
InChIInChI=1S/C10H12BrFN2O2/c1-15-9-7(11)10(16-5-4-12)14-8(13-9)6-2-3-6/h6H,2-5H2,1H3
InChIKeyAMVNNGVQWANKPT-UHFFFAOYSA-N
MW291.12 g/mol
LogP2.47
Rot. Bonds5

About 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine

5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine (PubChem CID 87977028) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine
PubChem CID87977028
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine
SMILESCOc1nc(C2CC2)nc(OCCF)c1Br
InChIInChI=1S/C10H12BrFN2O2/c1-15-9-7(11)10(16-5-4-12)14-8(13-9)6-2-3-6/h6H,2-5H2,1H3
InChIKeyAMVNNGVQWANKPT-UHFFFAOYSA-N
XLogP2.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
The IUPAC name of 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine (CID 87977028) is 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine is COc1nc(C2CC2)nc(OCCF)c1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
The InChIKey is AMVNNGVQWANKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c1-15-9-7(11)10(16-5-4-12)14-8(13-9)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine has a molecular weight of 291.12 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine is sourced from PubChem (CID 87977028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).