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

C17H32N2 — CID 145019343

IUPACethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
SMILESC=C/C=C1C(=C/CC)\NC(C)=NC\1(C)C.CC.CC
InChIInChI=1S/C13H20N2.2C2H6/c1-6-8-11-12(9-7-2)14-10(3)15-13(11,4)5;2*1-2/h6,8-9H,1,7H2,2-5H3,(H,14,15);2*1-2H3/b11-8+,12-9+;;
InChIKeyUVWIHXILCNNDCD-XEIXTOEKSA-N
MW264.46 g/mol
LogP5.25
Rot. Bonds2

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

ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine (PubChem CID 145019343) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine.

Molecular Properties

Compound Nameethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
PubChem CID145019343
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Nameethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
SMILESC=C/C=C1C(=C/CC)\NC(C)=NC\1(C)C.CC.CC
InChIInChI=1S/C13H20N2.2C2H6/c1-6-8-11-12(9-7-2)14-10(3)15-13(11,4)5;2*1-2/h6,8-9H,1,7H2,2-5H3,(H,14,15);2*1-2H3/b11-8+,12-9+;;
InChIKeyUVWIHXILCNNDCD-XEIXTOEKSA-N
XLogP5.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
CID 139418781
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
(7R)-2,4,4,7-tetramethyl-6,7-dihydro-1H-quinazoline
CID 132060880
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354
N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide
CID 134591853
N'-buta-1,3-dien-2-yl-N-[(E)-4-methylidenehept-2-en-2-yl]ethanimidamide
CID 139305358
N'-buta-1,3-dien-2-yl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
CID 139305374
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;N-[(4Z,5E)-7-imino-2,5-dimethyl-4-propylideneocta-2,5-dien-3-yl]-N'-methylethanimidamide
CID 144004613
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine
CID 144563061
ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine
CID 144563363
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
CID 144563445

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The IUPAC name of ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine (CID 145019343) is ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine.
What is the SMILES notation for ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The canonical SMILES for ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine is C=C/C=C1C(=C/CC)\NC(C)=NC\1(C)C.CC.CC.
What is the InChIKey of ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The InChIKey is UVWIHXILCNNDCD-XEIXTOEKSA-N. The full InChI is InChI=1S/C13H20N2.2C2H6/c1-6-8-11-12(9-7-2)14-10(3)15-13(11,4)5;2*1-2/h6,8-9H,1,7H2,2-5H3,(H,14,15);2*1-2H3/b11-8+,12-9+;;.
What are the key properties of ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine has a molecular weight of 264.46 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine is sourced from PubChem (CID 145019343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).