2,5,6-trifluoropyrimidin-4-amine

C4H2F3N3 — CID 13287430

IUPAC2,5,6-trifluoropyrimidin-4-amine
SMILESNc1nc(F)nc(F)c1F
InChIInChI=1S/C4H2F3N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10)
InChIKeyFNFKFFDDILKMPE-UHFFFAOYSA-N
MW149.08 g/mol
LogP0.48
Rot. Bonds

About 2,5,6-trifluoropyrimidin-4-amine

2,5,6-trifluoropyrimidin-4-amine (PubChem CID 13287430) has the molecular formula C4H2F3N3 and a molecular weight of 149.08 g/mol. Its IUPAC name is 2,5,6-trifluoropyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trifluoropyrimidin-4-amine
PubChem CID13287430
Molecular FormulaC4H2F3N3
Molecular Weight149.08 g/mol
Exact Mass149.02
IUPAC Name2,5,6-trifluoropyrimidin-4-amine
SMILESNc1nc(F)nc(F)c1F
InChIInChI=1S/C4H2F3N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10)
InChIKeyFNFKFFDDILKMPE-UHFFFAOYSA-N
XLogP0.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trifluoropyrimidin-4-amine?
The IUPAC name of 2,5,6-trifluoropyrimidin-4-amine (CID 13287430) is 2,5,6-trifluoropyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trifluoropyrimidin-4-amine?
The canonical SMILES for 2,5,6-trifluoropyrimidin-4-amine is Nc1nc(F)nc(F)c1F.
What is the InChIKey of 2,5,6-trifluoropyrimidin-4-amine?
The InChIKey is FNFKFFDDILKMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10).
What are the key properties of 2,5,6-trifluoropyrimidin-4-amine?
2,5,6-trifluoropyrimidin-4-amine has a molecular weight of 149.08 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trifluoropyrimidin-4-amine is sourced from PubChem (CID 13287430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).