(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane

C16H26N2 — CID 145019324

IUPAC(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane
SMILESC=C/C=C1C(=C/C=C\C)\NC(C)=NC\1(C)C.CC
InChIInChI=1S/C14H20N2.C2H6/c1-6-8-10-13-12(9-7-2)14(4,5)16-11(3)15-13;1-2/h6-10H,2H2,1,3-5H3,(H,15,16);1-2H3/b8-6-,12-9+,13-10+;
InChIKeyPYHUBGUAYBXCCZ-QNRQIXDTSA-N
MW246.40 g/mol
LogP4.39
Rot. Bonds2

About (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane

(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane (PubChem CID 145019324) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane.

Molecular Properties

Compound Name(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane
PubChem CID145019324
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane
SMILESC=C/C=C1C(=C/C=C\C)\NC(C)=NC\1(C)C.CC
InChIInChI=1S/C14H20N2.C2H6/c1-6-8-10-13-12(9-7-2)14(4,5)16-11(3)15-13;1-2/h6-10H,2H2,1,3-5H3,(H,15,16);1-2H3/b8-6-,12-9+,13-10+;
InChIKeyPYHUBGUAYBXCCZ-QNRQIXDTSA-N
XLogP4.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.39
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 (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane?
The IUPAC name of (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane (CID 145019324) is (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane.
What is the SMILES notation for (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane?
The canonical SMILES for (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane is C=C/C=C1C(=C/C=C\C)\NC(C)=NC\1(C)C.CC.
What is the InChIKey of (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane?
The InChIKey is PYHUBGUAYBXCCZ-QNRQIXDTSA-N. The full InChI is InChI=1S/C14H20N2.C2H6/c1-6-8-10-13-12(9-7-2)14(4,5)16-11(3)15-13;1-2/h6-10H,2H2,1,3-5H3,(H,15,16);1-2H3/b8-6-,12-9+,13-10+;.
What are the key properties of (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane?
(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane has a molecular weight of 246.40 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane is sourced from PubChem (CID 145019324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).