5-fluoropyrimidin-2-amine

C4H4FN3 — CID 15209694

IUPAC5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)cn1
InChIInChI=1S/C4H4FN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKeyFUNBZJKZJGKXQB-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.20
Rot. Bonds

About 5-fluoropyrimidin-2-amine

5-fluoropyrimidin-2-amine (PubChem CID 15209694) has the molecular formula C4H4FN3 and a molecular weight of 113.09 g/mol. Its IUPAC name is 5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoropyrimidin-2-amine
PubChem CID15209694
Molecular FormulaC4H4FN3
Molecular Weight113.09 g/mol
Exact Mass113.04
IUPAC Name5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)cn1
InChIInChI=1S/C4H4FN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKeyFUNBZJKZJGKXQB-UHFFFAOYSA-N
XLogP0.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyrimidin-2-amine?
The IUPAC name of 5-fluoropyrimidin-2-amine (CID 15209694) is 5-fluoropyrimidin-2-amine.
What is the SMILES notation for 5-fluoropyrimidin-2-amine?
The canonical SMILES for 5-fluoropyrimidin-2-amine is Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoropyrimidin-2-amine?
The InChIKey is FUNBZJKZJGKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8).
What are the key properties of 5-fluoropyrimidin-2-amine?
5-fluoropyrimidin-2-amine has a molecular weight of 113.09 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrimidin-2-amine is sourced from PubChem (CID 15209694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).