5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine

C9H12F2N4O2 — CID 166129551

IUPAC5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine
SMILESNc1ncnc(N2CCOCC2)c1OC(F)F
InChIInChI=1S/C9H12F2N4O2/c10-9(11)17-6-7(12)13-5-14-8(6)15-1-3-16-4-2-15/h5,9H,1-4H2,(H2,12,13,14)
InChIKeyLGWVOBZMXAXTGC-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.50
Rot. Bonds3

About 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine

5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 166129551) has the molecular formula C9H12F2N4O2 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID166129551
Molecular FormulaC9H12F2N4O2
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine
SMILESNc1ncnc(N2CCOCC2)c1OC(F)F
InChIInChI=1S/C9H12F2N4O2/c10-9(11)17-6-7(12)13-5-14-8(6)15-1-3-16-4-2-15/h5,9H,1-4H2,(H2,12,13,14)
InChIKeyLGWVOBZMXAXTGC-UHFFFAOYSA-N
XLogP0.50
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine (CID 166129551) is 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine is Nc1ncnc(N2CCOCC2)c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LGWVOBZMXAXTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2/c10-9(11)17-6-7(12)13-5-14-8(6)15-1-3-16-4-2-15/h5,9H,1-4H2,(H2,12,13,14).
What are the key properties of 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine?
5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 246.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 166129551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).