5-(difluoromethoxy)pyrimidin-2-amine

C5H5F2N3O — CID 139417201

IUPAC5-(difluoromethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)F)cn1
InChIInChI=1S/C5H5F2N3O/c6-4(7)11-3-1-9-5(8)10-2-3/h1-2,4H,(H2,8,9,10)
InChIKeyQOUKCBCOTRVYPD-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.66
Rot. Bonds2

About 5-(difluoromethoxy)pyrimidin-2-amine

5-(difluoromethoxy)pyrimidin-2-amine (PubChem CID 139417201) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 5-(difluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)pyrimidin-2-amine
PubChem CID139417201
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC Name5-(difluoromethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)F)cn1
InChIInChI=1S/C5H5F2N3O/c6-4(7)11-3-1-9-5(8)10-2-3/h1-2,4H,(H2,8,9,10)
InChIKeyQOUKCBCOTRVYPD-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 5-(difluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 5-(difluoromethoxy)pyrimidin-2-amine (CID 139417201) is 5-(difluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-(difluoromethoxy)pyrimidin-2-amine is Nc1ncc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)pyrimidin-2-amine?
The InChIKey is QOUKCBCOTRVYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-4(7)11-3-1-9-5(8)10-2-3/h1-2,4H,(H2,8,9,10).
What are the key properties of 5-(difluoromethoxy)pyrimidin-2-amine?
5-(difluoromethoxy)pyrimidin-2-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 5-(difluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 139417201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).