6-(difluoromethoxy)pyrimidin-4-amine

C5H5F2N3O — CID 22909955

IUPAC6-(difluoromethoxy)pyrimidin-4-amine
SMILESNc1cc(OC(F)F)ncn1
InChIInChI=1S/C5H5F2N3O/c6-5(7)11-4-1-3(8)9-2-10-4/h1-2,5H,(H2,8,9,10)
InChIKeyJHQAYOAIRYKEAB-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.66
Rot. Bonds2

About 6-(difluoromethoxy)pyrimidin-4-amine

6-(difluoromethoxy)pyrimidin-4-amine (PubChem CID 22909955) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 6-(difluoromethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)pyrimidin-4-amine
PubChem CID22909955
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC Name6-(difluoromethoxy)pyrimidin-4-amine
SMILESNc1cc(OC(F)F)ncn1
InChIInChI=1S/C5H5F2N3O/c6-5(7)11-4-1-3(8)9-2-10-4/h1-2,5H,(H2,8,9,10)
InChIKeyJHQAYOAIRYKEAB-UHFFFAOYSA-N
XLogP0.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)pyrimidin-4-amine?
The IUPAC name of 6-(difluoromethoxy)pyrimidin-4-amine (CID 22909955) is 6-(difluoromethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethoxy)pyrimidin-4-amine is Nc1cc(OC(F)F)ncn1.
What is the InChIKey of 6-(difluoromethoxy)pyrimidin-4-amine?
The InChIKey is JHQAYOAIRYKEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-5(7)11-4-1-3(8)9-2-10-4/h1-2,5H,(H2,8,9,10).
What are the key properties of 6-(difluoromethoxy)pyrimidin-4-amine?
6-(difluoromethoxy)pyrimidin-4-amine has a molecular weight of 161.11 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)pyrimidin-4-amine is sourced from PubChem (CID 22909955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).