5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine

C10H13FN2 — CID 145143512

IUPAC5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine
SMILESCC/C=C(/F)c1c(C)ncnc1C
InChIInChI=1S/C10H13FN2/c1-4-5-9(11)10-7(2)12-6-13-8(10)3/h5-6H,4H2,1-3H3/b9-5+
InChIKeyXKXAESYKXDZLJR-WEVVVXLNSA-N
MW180.23 g/mol
LogP2.81
Rot. Bonds2

About 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine

5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine (PubChem CID 145143512) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine
PubChem CID145143512
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine
SMILESCC/C=C(/F)c1c(C)ncnc1C
InChIInChI=1S/C10H13FN2/c1-4-5-9(11)10-7(2)12-6-13-8(10)3/h5-6H,4H2,1-3H3/b9-5+
InChIKeyXKXAESYKXDZLJR-WEVVVXLNSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine?
The IUPAC name of 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine (CID 145143512) is 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine is CC/C=C(/F)c1c(C)ncnc1C.
What is the InChIKey of 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine?
The InChIKey is XKXAESYKXDZLJR-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H13FN2/c1-4-5-9(11)10-7(2)12-6-13-8(10)3/h5-6H,4H2,1-3H3/b9-5+.
What are the key properties of 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine?
5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine has a molecular weight of 180.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-fluorobut-1-enyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 145143512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).