5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine

C10H11BrF2N2O2 — CID 87977665

IUPAC5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
SMILESCOc1nc(C2CC2)nc(OCC(F)F)c1Br
InChIInChI=1S/C10H11BrF2N2O2/c1-16-9-7(11)10(17-4-6(12)13)15-8(14-9)5-2-3-5/h5-6H,2-4H2,1H3
InChIKeyKHWAJLSEPDJPBE-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.77
Rot. Bonds5

About 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine

5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine (PubChem CID 87977665) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
PubChem CID87977665
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
SMILESCOc1nc(C2CC2)nc(OCC(F)F)c1Br
InChIInChI=1S/C10H11BrF2N2O2/c1-16-9-7(11)10(17-4-6(12)13)15-8(14-9)5-2-3-5/h5-6H,2-4H2,1H3
InChIKeyKHWAJLSEPDJPBE-UHFFFAOYSA-N
XLogP2.77
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.77
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-(2,2-difluoroethoxy)-6-methoxypyrimidine?
The IUPAC name of 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine (CID 87977665) is 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine is COc1nc(C2CC2)nc(OCC(F)F)c1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine?
The InChIKey is KHWAJLSEPDJPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-16-9-7(11)10(17-4-6(12)13)15-8(14-9)5-2-3-5/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine?
5-bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine has a molecular weight of 309.11 g/mol, XLogP of 2.77, 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-(2,2-difluoroethoxy)-6-methoxypyrimidine is sourced from PubChem (CID 87977665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).