4-ethenyl-5-fluoropyrimidin-2-amine

C6H6FN3 — CID 118155967

IUPAC4-ethenyl-5-fluoropyrimidin-2-amine
SMILESC=Cc1nc(N)ncc1F
InChIInChI=1S/C6H6FN3/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2,(H2,8,9,10)
InChIKeyHXKHBXQWEXVJAM-UHFFFAOYSA-N
MW139.13 g/mol
LogP0.84
Rot. Bonds1

About 4-ethenyl-5-fluoropyrimidin-2-amine

4-ethenyl-5-fluoropyrimidin-2-amine (PubChem CID 118155967) has the molecular formula C6H6FN3 and a molecular weight of 139.13 g/mol. Its IUPAC name is 4-ethenyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-ethenyl-5-fluoropyrimidin-2-amine
PubChem CID118155967
Molecular FormulaC6H6FN3
Molecular Weight139.13 g/mol
Exact Mass139.05
IUPAC Name4-ethenyl-5-fluoropyrimidin-2-amine
SMILESC=Cc1nc(N)ncc1F
InChIInChI=1S/C6H6FN3/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2,(H2,8,9,10)
InChIKeyHXKHBXQWEXVJAM-UHFFFAOYSA-N
XLogP0.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-ethenyl-5-fluoropyrimidin-2-amine (CID 118155967) is 4-ethenyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-ethenyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-ethenyl-5-fluoropyrimidin-2-amine is C=Cc1nc(N)ncc1F.
What is the InChIKey of 4-ethenyl-5-fluoropyrimidin-2-amine?
The InChIKey is HXKHBXQWEXVJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2,(H2,8,9,10).
What are the key properties of 4-ethenyl-5-fluoropyrimidin-2-amine?
4-ethenyl-5-fluoropyrimidin-2-amine has a molecular weight of 139.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 118155967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).