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

C12H10F2N2O2 — CID 2783406

IUPAC2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(-c2c(F)cccc2F)n1
InChIInChI=1S/C12H10F2N2O2/c1-17-9-6-10(18-2)16-12(15-9)11-7(13)4-3-5-8(11)14/h3-6H,1-2H3
InChIKeyIPQCTNRJKRBBIH-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.44
Rot. Bonds3

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

2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine (PubChem CID 2783406) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine
PubChem CID2783406
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(-c2c(F)cccc2F)n1
InChIInChI=1S/C12H10F2N2O2/c1-17-9-6-10(18-2)16-12(15-9)11-7(13)4-3-5-8(11)14/h3-6H,1-2H3
InChIKeyIPQCTNRJKRBBIH-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 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine (CID 2783406) is 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine is COc1cc(OC)nc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine?
The InChIKey is IPQCTNRJKRBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-17-9-6-10(18-2)16-12(15-9)11-7(13)4-3-5-8(11)14/h3-6H,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine?
2-(2,6-difluorophenyl)-4,6-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 2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 2783406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).