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

C12H17N3 — CID 143345880

IUPAC(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
SMILESC=CC1=N/C(=C/N)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C12H17N3/c1-5-9(3)11-7-10(6-2)14-12(8-13)15(11)4/h6-8H,2-3,5,13H2,1,4H3/b12-8-
InChIKeyAFPGSBCYBXZPJD-WQLSENKSSA-N
MW203.29 g/mol
LogP2.17
Rot. Bonds3

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

(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine (PubChem CID 143345880) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine.

Molecular Properties

Compound Name(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
PubChem CID143345880
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
SMILESC=CC1=N/C(=C/N)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C12H17N3/c1-5-9(3)11-7-10(6-2)14-12(8-13)15(11)4/h6-8H,2-3,5,13H2,1,4H3/b12-8-
InChIKeyAFPGSBCYBXZPJD-WQLSENKSSA-N
XLogP2.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine
CID 88985554
(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
CID 121329883
N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine
CID 121330181
(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
CID 129169872
(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;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
CID 143345365
4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane
CID 143345847
acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
CID 143345879
2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile
CID 143346692

Frequently Asked Questions

What is the IUPAC name of (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
The IUPAC name of (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine (CID 143345880) is (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine.
What is the SMILES notation for (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
The canonical SMILES for (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine is C=CC1=N/C(=C/N)N(C)C(C(=C)CC)=C1.
What is the InChIKey of (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
The InChIKey is AFPGSBCYBXZPJD-WQLSENKSSA-N. The full InChI is InChI=1S/C12H17N3/c1-5-9(3)11-7-10(6-2)14-12(8-13)15(11)4/h6-8H,2-3,5,13H2,1,4H3/b12-8-.
What are the key properties of (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine?
(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine has a molecular weight of 203.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine is sourced from PubChem (CID 143345880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).