ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine

C14H26N2 — CID 144563363

IUPACethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine
SMILESC=C/C=C1/CN=C(C)N/C1=C/C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-4-6-9-7-11-8(3)12-10(9)5-2;2*1-2/h4-6H,1,7H2,2-3H3,(H,11,12);2*1-2H3/b9-6-,10-5+;;
InChIKeyKJAUIEOYTVXACJ-CIYFFLMVSA-N
MW222.38 g/mol
LogP4.08
Rot. Bonds1

About ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine

ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine (PubChem CID 144563363) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine.

Molecular Properties

Compound Nameethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine
PubChem CID144563363
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine
SMILESC=C/C=C1/CN=C(C)N/C1=C/C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-4-6-9-7-11-8(3)12-10(9)5-2;2*1-2/h4-6H,1,7H2,2-3H3,(H,11,12);2*1-2H3/b9-6-,10-5+;;
InChIKeyKJAUIEOYTVXACJ-CIYFFLMVSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.08
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
N-[(1Z)-1-fluorobuta-1,3-dien-2-yl]-5-methylidene-4-[(1E,3Z)-penta-1,3-dienyl]-4H-pyrimidin-6-amine
CID 174028718
N'-[(3Z)-2,4-difluorohexa-1,3,5-trien-3-yl]-N-[(3E)-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 144199924
(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
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
2-But-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
CID 90865640
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
N-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-2-pyridinyl]-2,3-dihydropyrazin-5-amine
CID 117813789
N-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-3-pyridinyl]-2,3-dihydropyrazin-5-amine
CID 117813887

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine?
The IUPAC name of ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine (CID 144563363) is ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine.
What is the SMILES notation for ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine?
The canonical SMILES for ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine is C=C/C=C1/CN=C(C)N/C1=C/C.CC.CC.
What is the InChIKey of ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine?
The InChIKey is KJAUIEOYTVXACJ-CIYFFLMVSA-N. The full InChI is InChI=1S/C10H14N2.2C2H6/c1-4-6-9-7-11-8(3)12-10(9)5-2;2*1-2/h4-6H,1,7H2,2-3H3,(H,11,12);2*1-2H3/b9-6-,10-5+;;.
What are the key properties of ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine?
ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine has a molecular weight of 222.38 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine is sourced from PubChem (CID 144563363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).