(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine

C14H18N2 — CID 143343107

IUPAC(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine
SMILESC=C/C=C1/N=C(C=C)C=C(C(=C)CC)N1C
InChIInChI=1S/C14H18N2/c1-6-9-14-15-12(8-3)10-13(16(14)5)11(4)7-2/h6,8-10H,1,3-4,7H2,2,5H3/b14-9-
InChIKeyFSKPEWBUVZJYAN-ZROIWOOFSA-N
MW214.31 g/mol
LogP3.44
Rot. Bonds4

About (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine

(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine (PubChem CID 143343107) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine.

Molecular Properties

Compound Name(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine
PubChem CID143343107
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine
SMILESC=C/C=C1/N=C(C=C)C=C(C(=C)CC)N1C
InChIInChI=1S/C14H18N2/c1-6-9-14-15-12(8-3)10-13(16(14)5)11(4)7-2/h6,8-10H,1,3-4,7H2,2,5H3/b14-9-
InChIKeyFSKPEWBUVZJYAN-ZROIWOOFSA-N
XLogP3.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine
CID 134987383
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
CID 89441651
N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
CID 91390701
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
(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
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
1,2-Dimethyl-6,7-dihydroquinolin-1-ium;ethane
CID 144659210
(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
CID 157044219

Frequently Asked Questions

What is the IUPAC name of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine?
The IUPAC name of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine (CID 143343107) is (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine.
What is the SMILES notation for (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine?
The canonical SMILES for (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine is C=C/C=C1/N=C(C=C)C=C(C(=C)CC)N1C.
What is the InChIKey of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine?
The InChIKey is FSKPEWBUVZJYAN-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H18N2/c1-6-9-14-15-12(8-3)10-13(16(14)5)11(4)7-2/h6,8-10H,1,3-4,7H2,2,5H3/b14-9-.
What are the key properties of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine?
(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine has a molecular weight of 214.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine is sourced from PubChem (CID 143343107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).