4,6-bis(difluoromethoxy)-2-methylpyrimidine

C7H6F4N2O2 — CID 20713450

IUPAC4,6-bis(difluoromethoxy)-2-methylpyrimidine
SMILESCc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N2O2/c1-3-12-4(14-6(8)9)2-5(13-3)15-7(10)11/h2,6-7H,1H3
InChIKeyPQRZMGNGFPOWFT-UHFFFAOYSA-N
MW226.13 g/mol
LogP1.99
Rot. Bonds4

About 4,6-bis(difluoromethoxy)-2-methylpyrimidine

4,6-bis(difluoromethoxy)-2-methylpyrimidine (PubChem CID 20713450) has the molecular formula C7H6F4N2O2 and a molecular weight of 226.13 g/mol. Its IUPAC name is 4,6-bis(difluoromethoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-bis(difluoromethoxy)-2-methylpyrimidine
PubChem CID20713450
Molecular FormulaC7H6F4N2O2
Molecular Weight226.13 g/mol
Exact Mass226.04
IUPAC Name4,6-bis(difluoromethoxy)-2-methylpyrimidine
SMILESCc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N2O2/c1-3-12-4(14-6(8)9)2-5(13-3)15-7(10)11/h2,6-7H,1H3
InChIKeyPQRZMGNGFPOWFT-UHFFFAOYSA-N
XLogP1.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(difluoromethoxy)-2-methylpyrimidine?
The IUPAC name of 4,6-bis(difluoromethoxy)-2-methylpyrimidine (CID 20713450) is 4,6-bis(difluoromethoxy)-2-methylpyrimidine.
What is the SMILES notation for 4,6-bis(difluoromethoxy)-2-methylpyrimidine?
The canonical SMILES for 4,6-bis(difluoromethoxy)-2-methylpyrimidine is Cc1nc(OC(F)F)cc(OC(F)F)n1.
What is the InChIKey of 4,6-bis(difluoromethoxy)-2-methylpyrimidine?
The InChIKey is PQRZMGNGFPOWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2/c1-3-12-4(14-6(8)9)2-5(13-3)15-7(10)11/h2,6-7H,1H3.
What are the key properties of 4,6-bis(difluoromethoxy)-2-methylpyrimidine?
4,6-bis(difluoromethoxy)-2-methylpyrimidine has a molecular weight of 226.13 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(difluoromethoxy)-2-methylpyrimidine is sourced from PubChem (CID 20713450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).