(E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine

C15H24FN3 — CID 121330273

IUPAC(E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
SMILESC=CC(C)NCC/C=C(/F)N1C(C)=CC(C)=NC1C
InChIInChI=1S/C15H24FN3/c1-6-11(2)17-9-7-8-15(16)19-13(4)10-12(3)18-14(19)5/h6,8,10-11,14,17H,1,7,9H2,2-5H3/b15-8-
InChIKeyWTZMLMHRCKSWTM-NVNXTCNLSA-N
MW265.38 g/mol
LogP3.38
Rot. Bonds6

About (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine

(E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine (PubChem CID 121330273) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
PubChem CID121330273
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name(E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
SMILESC=CC(C)NCC/C=C(/F)N1C(C)=CC(C)=NC1C
InChIInChI=1S/C15H24FN3/c1-6-11(2)17-9-7-8-15(16)19-13(4)10-12(3)18-14(19)5/h6,8,10-11,14,17H,1,7,9H2,2-5H3/b15-8-
InChIKeyWTZMLMHRCKSWTM-NVNXTCNLSA-N
XLogP3.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The IUPAC name of (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine (CID 121330273) is (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The canonical SMILES for (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine is C=CC(C)NCC/C=C(/F)N1C(C)=CC(C)=NC1C.
What is the InChIKey of (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The InChIKey is WTZMLMHRCKSWTM-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H24FN3/c1-6-11(2)17-9-7-8-15(16)19-13(4)10-12(3)18-14(19)5/h6,8,10-11,14,17H,1,7,9H2,2-5H3/b15-8-.
What are the key properties of (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
(E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine has a molecular weight of 265.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine is sourced from PubChem (CID 121330273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).