acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane

C18H30N2 — CID 143345365

IUPACacetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
SMILESC#C.C=CC1=NC(=C)N(C)C(C(=C)CC)=C1.CC.CC
InChIInChI=1S/C12H16N2.2C2H6.C2H2/c1-6-9(3)12-8-11(7-2)13-10(4)14(12)5;3*1-2/h7-8H,2-4,6H2,1,5H3;2*1-2H3;1-2H
InChIKeyKZPNRSSHEJBXRQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.18
Rot. Bonds3

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

acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane (PubChem CID 143345365) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane.

Molecular Properties

Compound Nameacetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
PubChem CID143345365
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Nameacetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
SMILESC#C.C=CC1=NC(=C)N(C)C(C(=C)CC)=C1.CC.CC
InChIInChI=1S/C12H16N2.2C2H6.C2H2/c1-6-9(3)12-8-11(7-2)13-10(4)14(12)5;3*1-2/h7-8H,2-4,6H2,1,5H3;2*1-2H3;1-2H
InChIKeyKZPNRSSHEJBXRQ-UHFFFAOYSA-N
XLogP5.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
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
[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane
CID 143343608
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
acetylene;ethane;(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine
CID 143705722
N-[cyclohepta-1,4,6-trien-1-yl-[[(3E,5Z)-3-methylhepta-3,5-dien-2-ylidene]amino]methyl]-N-methylcyclohexa-1,5-dien-1-amine
CID 173782928
[4-[[4-(Dimethylamino)cyclohexa-2,4-dien-1-ylidene]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 102244519
(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

Frequently Asked Questions

What is the IUPAC name of acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane?
The IUPAC name of acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane (CID 143345365) is acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane.
What is the SMILES notation for acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane?
The canonical SMILES for acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane is C#C.C=CC1=NC(=C)N(C)C(C(=C)CC)=C1.CC.CC.
What is the InChIKey of acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane?
The InChIKey is KZPNRSSHEJBXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.2C2H6.C2H2/c1-6-9(3)12-8-11(7-2)13-10(4)14(12)5;3*1-2/h7-8H,2-4,6H2,1,5H3;2*1-2H3;1-2H.
What are the key properties of acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane?
acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane has a molecular weight of 274.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane is sourced from PubChem (CID 143345365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).