ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne

C19H34N2 — CID 144634348

IUPACethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne
SMILESC#CC.C=C/C=C1C(=C/C)\NC(C)=NC\1(C)C.CC.CC
InChIInChI=1S/C12H18N2.C3H4.2C2H6/c1-6-8-10-11(7-2)13-9(3)14-12(10,4)5;1-3-2;2*1-2/h6-8H,1H2,2-5H3,(H,13,14);1H,2H3;2*1-2H3/b10-8+,11-7+;;;
InChIKeyLUFDGULQBBJMMG-ITMSIYTMSA-N
MW290.50 g/mol
LogP5.49
Rot. Bonds1

About ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne

ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne (PubChem CID 144634348) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne.

Molecular Properties

Compound Nameethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne
PubChem CID144634348
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Nameethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne
SMILESC#CC.C=C/C=C1C(=C/C)\NC(C)=NC\1(C)C.CC.CC
InChIInChI=1S/C12H18N2.C3H4.2C2H6/c1-6-8-10-11(7-2)13-9(3)14-12(10,4)5;1-3-2;2*1-2/h6-8H,1H2,2-5H3,(H,13,14);1H,2H3;2*1-2H3/b10-8+,11-7+;;;
InChIKeyLUFDGULQBBJMMG-ITMSIYTMSA-N
XLogP5.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide
CID 143995417
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine
CID 144563061
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
CID 144563445
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane;prop-1-yne
CID 144563688
ethane;(5E,6E)-5-ethylidene-2,4,4-trimethyl-6-prop-2-enylidene-1H-pyrimidine
CID 144594025
ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine
CID 144633870
ethane;(5E,6E)-5-ethylidene-2,4,4-trimethyl-6-propylidene-1H-pyrimidine
CID 144633934
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
CID 144634167
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane;prop-1-yne
CID 144690026
(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane
CID 145019324
ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
CID 145019343
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine
CID 145019362

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne?
The IUPAC name of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne (CID 144634348) is ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne.
What is the SMILES notation for ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne?
The canonical SMILES for ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne is C#CC.C=C/C=C1C(=C/C)\NC(C)=NC\1(C)C.CC.CC.
What is the InChIKey of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne?
The InChIKey is LUFDGULQBBJMMG-ITMSIYTMSA-N. The full InChI is InChI=1S/C12H18N2.C3H4.2C2H6/c1-6-8-10-11(7-2)13-9(3)14-12(10,4)5;1-3-2;2*1-2/h6-8H,1H2,2-5H3,(H,13,14);1H,2H3;2*1-2H3/b10-8+,11-7+;;;.
What are the key properties of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne?
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne has a molecular weight of 290.50 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne is sourced from PubChem (CID 144634348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).