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

C17H30N2 — CID 144633870

IUPACethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine
SMILESC=C/C=C1/NC(C)=NC(C)(C)/C1=C/C=C.CC.CC
InChIInChI=1S/C13H18N2.2C2H6/c1-6-8-11-12(9-7-2)14-10(3)15-13(11,4)5;2*1-2/h6-9H,1-2H2,3-5H3,(H,14,15);2*1-2H3/b11-8+,12-9+;;
InChIKeyQWAVBDJCPRZBPY-XEIXTOEKSA-N
MW262.44 g/mol
LogP5.02
Rot. Bonds2

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

ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine (PubChem CID 144633870) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine.

Molecular Properties

Compound Nameethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine
PubChem CID144633870
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Nameethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine
SMILESC=C/C=C1/NC(C)=NC(C)(C)/C1=C/C=C.CC.CC
InChIInChI=1S/C13H18N2.2C2H6/c1-6-8-11-12(9-7-2)14-10(3)15-13(11,4)5;2*1-2/h6-9H,1-2H2,3-5H3,(H,14,15);2*1-2H3/b11-8+,12-9+;;
InChIKeyQWAVBDJCPRZBPY-XEIXTOEKSA-N
XLogP5.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylidenepyridin-2-amine
CID 156033214
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-5-methylidenepyridin-2-amine
CID 155584311
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide
CID 123677229
(7R)-2,4,4,7-tetramethyl-6,7-dihydro-1H-quinazoline
CID 132060880
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
CID 134214393
N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide
CID 134591853

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine?
The IUPAC name of ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine (CID 144633870) is ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine.
What is the SMILES notation for ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine?
The canonical SMILES for ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine is C=C/C=C1/NC(C)=NC(C)(C)/C1=C/C=C.CC.CC.
What is the InChIKey of ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine?
The InChIKey is QWAVBDJCPRZBPY-XEIXTOEKSA-N. The full InChI is InChI=1S/C13H18N2.2C2H6/c1-6-8-11-12(9-7-2)14-10(3)15-13(11,4)5;2*1-2/h6-9H,1-2H2,3-5H3,(H,14,15);2*1-2H3/b11-8+,12-9+;;.
What are the key properties of ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine?
ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine has a molecular weight of 262.44 g/mol, XLogP of 5.02, 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-5,6-bis(prop-2-enylidene)-1H-pyrimidine is sourced from PubChem (CID 144633870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).