5,6-difluoropyrimidin-4-amine

C4H3F2N3 — CID 54476341

IUPAC5,6-difluoropyrimidin-4-amine
SMILESNc1ncnc(F)c1F
InChIInChI=1S/C4H3F2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKeyJYXTZUDPRROGEI-UHFFFAOYSA-N
MW131.09 g/mol
LogP0.34
Rot. Bonds

About 5,6-difluoropyrimidin-4-amine

5,6-difluoropyrimidin-4-amine (PubChem CID 54476341) has the molecular formula C4H3F2N3 and a molecular weight of 131.09 g/mol. Its IUPAC name is 5,6-difluoropyrimidin-4-amine.

Molecular Properties

Compound Name5,6-difluoropyrimidin-4-amine
PubChem CID54476341
Molecular FormulaC4H3F2N3
Molecular Weight131.09 g/mol
Exact Mass131.03
IUPAC Name5,6-difluoropyrimidin-4-amine
SMILESNc1ncnc(F)c1F
InChIInChI=1S/C4H3F2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKeyJYXTZUDPRROGEI-UHFFFAOYSA-N
XLogP0.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoropyrimidin-4-amine?
The IUPAC name of 5,6-difluoropyrimidin-4-amine (CID 54476341) is 5,6-difluoropyrimidin-4-amine.
What is the SMILES notation for 5,6-difluoropyrimidin-4-amine?
The canonical SMILES for 5,6-difluoropyrimidin-4-amine is Nc1ncnc(F)c1F.
What is the InChIKey of 5,6-difluoropyrimidin-4-amine?
The InChIKey is JYXTZUDPRROGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9).
What are the key properties of 5,6-difluoropyrimidin-4-amine?
5,6-difluoropyrimidin-4-amine has a molecular weight of 131.09 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoropyrimidin-4-amine is sourced from PubChem (CID 54476341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).