N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine

C15H22FN3 — CID 122596871

IUPACN-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine
SMILESC=Cc1nc(F)nc(C(C)C(C)C(C)C)c1/N=C/C
InChIInChI=1S/C15H22FN3/c1-7-12-14(17-8-2)13(19-15(16)18-12)11(6)10(5)9(3)4/h7-11H,1H2,2-6H3/b17-8+
InChIKeyQYSCZBKJMVFUNG-CAOOACKPSA-N
MW263.36 g/mol
LogP4.38
Rot. Bonds5

About N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine

N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine (PubChem CID 122596871) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine.

Molecular Properties

Compound NameN-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine
PubChem CID122596871
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine
SMILESC=Cc1nc(F)nc(C(C)C(C)C(C)C)c1/N=C/C
InChIInChI=1S/C15H22FN3/c1-7-12-14(17-8-2)13(19-15(16)18-12)11(6)10(5)9(3)4/h7-11H,1H2,2-6H3/b17-8+
InChIKeyQYSCZBKJMVFUNG-CAOOACKPSA-N
XLogP4.38
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine?
The IUPAC name of N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine (CID 122596871) is N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine.
What is the SMILES notation for N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine?
The canonical SMILES for N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine is C=Cc1nc(F)nc(C(C)C(C)C(C)C)c1/N=C/C.
What is the InChIKey of N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine?
The InChIKey is QYSCZBKJMVFUNG-CAOOACKPSA-N. The full InChI is InChI=1S/C15H22FN3/c1-7-12-14(17-8-2)13(19-15(16)18-12)11(6)10(5)9(3)4/h7-11H,1H2,2-6H3/b17-8+.
What are the key properties of N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine?
N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine has a molecular weight of 263.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine is sourced from PubChem (CID 122596871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).