4,6-bis(difluoromethoxy)pyrimidin-2-amine

C6H5F4N3O2 — CID 13491823

IUPAC4,6-bis(difluoromethoxy)pyrimidin-2-amine
SMILESNc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C6H5F4N3O2/c7-4(8)14-2-1-3(15-5(9)10)13-6(11)12-2/h1,4-5H,(H2,11,12,13)
InChIKeyDARNJZBBTBLNCA-UHFFFAOYSA-N
MW227.12 g/mol
LogP1.26
Rot. Bonds4

About 4,6-bis(difluoromethoxy)pyrimidin-2-amine

4,6-bis(difluoromethoxy)pyrimidin-2-amine (PubChem CID 13491823) has the molecular formula C6H5F4N3O2 and a molecular weight of 227.12 g/mol. Its IUPAC name is 4,6-bis(difluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(difluoromethoxy)pyrimidin-2-amine
PubChem CID13491823
Molecular FormulaC6H5F4N3O2
Molecular Weight227.12 g/mol
Exact Mass227.03
IUPAC Name4,6-bis(difluoromethoxy)pyrimidin-2-amine
SMILESNc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C6H5F4N3O2/c7-4(8)14-2-1-3(15-5(9)10)13-6(11)12-2/h1,4-5H,(H2,11,12,13)
InChIKeyDARNJZBBTBLNCA-UHFFFAOYSA-N
XLogP1.26
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(difluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(difluoromethoxy)pyrimidin-2-amine (CID 13491823) is 4,6-bis(difluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(difluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(difluoromethoxy)pyrimidin-2-amine is Nc1nc(OC(F)F)cc(OC(F)F)n1.
What is the InChIKey of 4,6-bis(difluoromethoxy)pyrimidin-2-amine?
The InChIKey is DARNJZBBTBLNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3O2/c7-4(8)14-2-1-3(15-5(9)10)13-6(11)12-2/h1,4-5H,(H2,11,12,13).
What are the key properties of 4,6-bis(difluoromethoxy)pyrimidin-2-amine?
4,6-bis(difluoromethoxy)pyrimidin-2-amine has a molecular weight of 227.12 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(difluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 13491823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).