1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine

C7H8FN3 — CID 123605296

IUPAC1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine
SMILES[H]/N=c1\nc(C)n(C=C)cc1F
InChIInChI=1S/C7H8FN3/c1-3-11-4-6(8)7(9)10-5(11)2/h3-4,9H,1H2,2H3/b9-7-
InChIKeyDIUXRADQQHLUDP-CLFYSBASSA-N
MW153.16 g/mol
LogP0.91
Rot. Bonds1

About 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine

1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine (PubChem CID 123605296) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine.

Molecular Properties

Compound Name1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine
PubChem CID123605296
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine
SMILES[H]/N=c1\nc(C)n(C=C)cc1F
InChIInChI=1S/C7H8FN3/c1-3-11-4-6(8)7(9)10-5(11)2/h3-4,9H,1H2,2H3/b9-7-
InChIKeyDIUXRADQQHLUDP-CLFYSBASSA-N
XLogP0.91
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine?
The IUPAC name of 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine (CID 123605296) is 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine.
What is the SMILES notation for 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine?
The canonical SMILES for 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine is [H]/N=c1\nc(C)n(C=C)cc1F.
What is the InChIKey of 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine?
The InChIKey is DIUXRADQQHLUDP-CLFYSBASSA-N. The full InChI is InChI=1S/C7H8FN3/c1-3-11-4-6(8)7(9)10-5(11)2/h3-4,9H,1H2,2H3/b9-7-.
What are the key properties of 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine?
1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine has a molecular weight of 153.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-fluoro-2-methylpyrimidin-4-imine is sourced from PubChem (CID 123605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).