2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile

C15H17N3 — CID 143346692

IUPAC2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile
SMILESC=CC1=N/C(=C/C(=C)C#N)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C15H17N3/c1-6-12(4)14-9-13(7-2)17-15(18(14)5)8-11(3)10-16/h7-9H,2-4,6H2,1,5H3/b15-8-
InChIKeyFGXHOKLIBOMGSN-NVNXTCNLSA-N
MW239.32 g/mol
LogP3.33
Rot. Bonds4

About 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile

2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile (PubChem CID 143346692) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile
PubChem CID143346692
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile
SMILESC=CC1=N/C(=C/C(=C)C#N)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C15H17N3/c1-6-12(4)14-9-13(7-2)17-15(18(14)5)8-11(3)10-16/h7-9H,2-4,6H2,1,5H3/b15-8-
InChIKeyFGXHOKLIBOMGSN-NVNXTCNLSA-N
XLogP3.33
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine
CID 143343106
[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane
CID 143343608
2-[3-[(Z)-but-2-en-2-yl]-2-methylidenepyrimidin-4-yl]prop-2-enenitrile;ethane
CID 143343706
Acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
CID 143345365
(2E)-4-ethenyl-2-ethylidene-1-methyl-6-prop-1-en-2-ylpyrimidine
CID 143342976
(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine
CID 143343107
6-But-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine
CID 143345366
(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
CID 143345880
(2E)-1-methyl-4,6-bis(prop-1-en-2-yl)-2-prop-2-enylidenepyrimidine
CID 143347291

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile?
The IUPAC name of 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile (CID 143346692) is 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile.
What is the SMILES notation for 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile?
The canonical SMILES for 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile is C=CC1=N/C(=C/C(=C)C#N)N(C)C(C(=C)CC)=C1.
What is the InChIKey of 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile?
The InChIKey is FGXHOKLIBOMGSN-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H17N3/c1-6-12(4)14-9-13(7-2)17-15(18(14)5)8-11(3)10-16/h7-9H,2-4,6H2,1,5H3/b15-8-.
What are the key properties of 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile?
2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile has a molecular weight of 239.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile is sourced from PubChem (CID 143346692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).