acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine

C14H19N3 — CID 143345879

IUPACacetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
SMILESC#C.C=CC1=N/C(=C/N)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C12H17N3.C2H2/c1-5-9(3)11-7-10(6-2)14-12(8-13)15(11)4;1-2/h6-8H,2-3,5,13H2,1,4H3;1-2H/b12-8-;
InChIKeyLEQHCZIOVIJGCK-JCTPKUEWSA-N
MW229.33 g/mol
LogP2.42
Rot. Bonds3

About acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine

acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine (PubChem CID 143345879) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine.

Molecular Properties

Compound Nameacetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
PubChem CID143345879
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Nameacetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
SMILESC#C.C=CC1=N/C(=C/N)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C12H17N3.C2H2/c1-5-9(3)11-7-10(6-2)14-12(8-13)15(11)4;1-2/h6-8H,2-3,5,13H2,1,4H3;1-2H/b12-8-;
InChIKeyLEQHCZIOVIJGCK-JCTPKUEWSA-N
XLogP2.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine
CID 138461541
N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine
CID 143342947
(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine
CID 143343106
acetylene;N-[(4,5-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1-[(2E)-2-ethylidene-1-methyl-6-prop-1-en-2-ylpyrimidin-4-yl]ethenamine;ethane
CID 143343143
acetylene;2-N-[(2E)-2-[(E)-3-[1-[1-[(Z)-but-2-en-2-yl]-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl]ethenylamino]-2-methylprop-1-enyl]penta-2,4-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
CID 143344310
Acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
CID 143345365
1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine
CID 155728081
N-[(4,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]ethenamine
CID 173689037
N'-[(3Z)-3-ethylidene-4-imino-6-methylcyclohexa-1,5-dien-1-yl]-N-propa-1,2-dienylmethanediamine
CID 176544357
(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine
CID 143343107
N-[(4,5-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1-[(2E)-2-ethylidene-1-methyl-6-prop-1-en-2-ylpyrimidin-4-yl]ethenamine
CID 143343144
6-But-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine
CID 143345366

Frequently Asked Questions

What is the IUPAC name of acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
The IUPAC name of acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine (CID 143345879) is acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine.
What is the SMILES notation for acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
The canonical SMILES for acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine is C#C.C=CC1=N/C(=C/N)N(C)C(C(=C)CC)=C1.
What is the InChIKey of acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
The InChIKey is LEQHCZIOVIJGCK-JCTPKUEWSA-N. The full InChI is InChI=1S/C12H17N3.C2H2/c1-5-9(3)11-7-10(6-2)14-12(8-13)15(11)4;1-2/h6-8H,2-3,5,13H2,1,4H3;1-2H/b12-8-;.
What are the key properties of acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine is sourced from PubChem (CID 143345879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).