6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine

C7H8F3N3O — CID 123161731

IUPAC6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine
SMILESCC(F)(F)COc1ncnc(N)c1F
InChIInChI=1S/C7H8F3N3O/c1-7(9,10)2-14-6-4(8)5(11)12-3-13-6/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyVTBININRLOTQSM-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.23
Rot. Bonds3

About 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine

6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine (PubChem CID 123161731) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine
PubChem CID123161731
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine
SMILESCC(F)(F)COc1ncnc(N)c1F
InChIInChI=1S/C7H8F3N3O/c1-7(9,10)2-14-6-4(8)5(11)12-3-13-6/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyVTBININRLOTQSM-UHFFFAOYSA-N
XLogP1.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine (CID 123161731) is 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine is CC(F)(F)COc1ncnc(N)c1F.
What is the InChIKey of 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine?
The InChIKey is VTBININRLOTQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-7(9,10)2-14-6-4(8)5(11)12-3-13-6/h3H,2H2,1H3,(H2,11,12,13).
What are the key properties of 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine?
6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine has a molecular weight of 207.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoropropoxy)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 123161731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).