4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine

C12H10F2N2O2 — CID 71541205

IUPAC4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine
SMILESCOc1cc(-c2cccc(F)c2F)nc(OC)n1
InChIInChI=1S/C12H10F2N2O2/c1-17-10-6-9(15-12(16-10)18-2)7-4-3-5-8(13)11(7)14/h3-6H,1-2H3
InChIKeySWHNCZAUAJDOQL-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.44
Rot. Bonds3

About 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine

4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine (PubChem CID 71541205) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine
PubChem CID71541205
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine
SMILESCOc1cc(-c2cccc(F)c2F)nc(OC)n1
InChIInChI=1S/C12H10F2N2O2/c1-17-10-6-9(15-12(16-10)18-2)7-4-3-5-8(13)11(7)14/h3-6H,1-2H3
InChIKeySWHNCZAUAJDOQL-UHFFFAOYSA-N
XLogP2.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine?
The IUPAC name of 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine (CID 71541205) is 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine is COc1cc(-c2cccc(F)c2F)nc(OC)n1.
What is the InChIKey of 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine?
The InChIKey is SWHNCZAUAJDOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-17-10-6-9(15-12(16-10)18-2)7-4-3-5-8(13)11(7)14/h3-6H,1-2H3.
What are the key properties of 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine?
4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine has a molecular weight of 252.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 71541205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).