6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine

C12H16N2 — CID 143345366

IUPAC6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine
SMILESC=CC1=NC(=C)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C12H16N2/c1-6-9(3)12-8-11(7-2)13-10(4)14(12)5/h7-8H,2-4,6H2,1,5H3
InChIKeyLOLYYAHHBKFSLO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.88
Rot. Bonds3

About 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine

6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine (PubChem CID 143345366) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine.

Molecular Properties

Compound Name6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine
PubChem CID143345366
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine
SMILESC=CC1=NC(=C)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C12H16N2/c1-6-9(3)12-8-11(7-2)13-10(4)14(12)5/h7-8H,2-4,6H2,1,5H3
InChIKeyLOLYYAHHBKFSLO-UHFFFAOYSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.88
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 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine?
The IUPAC name of 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine (CID 143345366) is 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine.
What is the SMILES notation for 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine?
The canonical SMILES for 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine is C=CC1=NC(=C)N(C)C(C(=C)CC)=C1.
What is the InChIKey of 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine?
The InChIKey is LOLYYAHHBKFSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-6-9(3)12-8-11(7-2)13-10(4)14(12)5/h7-8H,2-4,6H2,1,5H3.
What are the key properties of 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine?
6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine is sourced from PubChem (CID 143345366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).