ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine

C13H22N2 — CID 143256634

IUPACethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
SMILESC=C(C)/C=C1/NCN=C/C1=C/CC.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-5-10-7-12-8-13-11(10)6-9(2)3;1-2/h5-7,13H,2,4,8H2,1,3H3;1-2H3/b10-5-,11-6+;
InChIKeyREDDUBUXERXKRO-BINALKEJSA-N
MW206.33 g/mol
LogP3.44
Rot. Bonds2

About ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine

ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine (PubChem CID 143256634) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine.

Molecular Properties

Compound Nameethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
PubChem CID143256634
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
SMILESC=C(C)/C=C1/NCN=C/C1=C/CC.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-5-10-7-12-8-13-11(10)6-9(2)3;1-2/h5-7,13H,2,4,8H2,1,3H3;1-2H3/b10-5-,11-6+;
InChIKeyREDDUBUXERXKRO-BINALKEJSA-N
XLogP3.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
CID 90782623
2-butan-2-ylidene-3-ethylidene-N-methylpyridin-4-amine
CID 91502715
7-N,4-diethyl-3H-azepine-5,7-diamine
CID 118946189
Methyl-[(3-methyl-1,2-dihydropyridin-4-yl)methylidene]-prop-1-en-2-ylazanium
CID 123143010
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
CID 126583286
N-methyl-N'-[(6Z)-6-[(methylideneamino)methylidene]-3-pyrazol-4-ylidenecyclohexa-1,4-dien-1-yl]methanediamine
CID 129273216
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
CID 130343762
(6Z)-5-methylidene-6-propylidene-1,2-dihydropyrimidine
CID 130389549
(2E,4E,6Z)-3-methanimidoyl-N-methylocta-2,4,6-trien-4-amine
CID 132064933
(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine
CID 134473203
(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine
CID 134473261
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine
CID 136593550

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
The IUPAC name of ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine (CID 143256634) is ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine.
What is the SMILES notation for ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
The canonical SMILES for ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine is C=C(C)/C=C1/NCN=C/C1=C/CC.CC.
What is the InChIKey of ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
The InChIKey is REDDUBUXERXKRO-BINALKEJSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-4-5-10-7-12-8-13-11(10)6-9(2)3;1-2/h5-7,13H,2,4,8H2,1,3H3;1-2H3/b10-5-,11-6+;.
What are the key properties of ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine has a molecular weight of 206.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine is sourced from PubChem (CID 143256634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).