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

C12H20N2 — CID 143256786

IUPACethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine
SMILESC=C(C)/C=C1/NC(C)N=CC1=C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-7(2)5-10-8(3)6-11-9(4)12-10;1-2/h5-6,9,12H,1,3H2,2,4H3;1-2H3/b10-5+;
InChIKeyMWYSCOOQVFIASK-OAZHBLANSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds1

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

ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine (PubChem CID 143256786) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine.

Molecular Properties

Compound Nameethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine
PubChem CID143256786
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine
SMILESC=C(C)/C=C1/NC(C)N=CC1=C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-7(2)5-10-8(3)6-11-9(4)12-10;1-2/h5-6,9,12H,1,3H2,2,4H3;1-2H3/b10-5+;
InChIKeyMWYSCOOQVFIASK-OAZHBLANSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5Z)-N,N-diethyl-5-[6-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-1,2-dihydropyridin-3-ylidene]penta-1,3-dien-3-amine
CID 173518248
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
CID 90782623
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
(6-Methyl-1,2-dihydropyridin-4-yl)methanimine
CID 118486764
7-N,4-diethyl-3H-azepine-5,7-diamine
CID 118946189
(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

Frequently Asked Questions

What is the IUPAC name of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine?
The IUPAC name of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine (CID 143256786) is ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine.
What is the SMILES notation for ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine?
The canonical SMILES for ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine is C=C(C)/C=C1/NC(C)N=CC1=C.CC.
What is the InChIKey of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine?
The InChIKey is MWYSCOOQVFIASK-OAZHBLANSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-7(2)5-10-8(3)6-11-9(4)12-10;1-2/h5-6,9,12H,1,3H2,2,4H3;1-2H3/b10-5+;.
What are the key properties of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine?
ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine has a molecular weight of 192.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine is sourced from PubChem (CID 143256786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).