ethane;(2E)-1-ethyl-2-ethylidenepyrimidine

C10H18N2 — CID 142838378

IUPACethane;(2E)-1-ethyl-2-ethylidenepyrimidine
SMILESC/C=C1/N=CC=CN1CC.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-8-9-6-5-7-10(8)4-2;1-2/h3,5-7H,4H2,1-2H3;1-2H3/b8-3-;
InChIKeyAWOSBCXMKFJNSN-NGRDVXTNSA-N
MW166.27 g/mol
LogP2.79
Rot. Bonds1

About ethane;(2E)-1-ethyl-2-ethylidenepyrimidine

ethane;(2E)-1-ethyl-2-ethylidenepyrimidine (PubChem CID 142838378) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;(2E)-1-ethyl-2-ethylidenepyrimidine.

Molecular Properties

Compound Nameethane;(2E)-1-ethyl-2-ethylidenepyrimidine
PubChem CID142838378
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;(2E)-1-ethyl-2-ethylidenepyrimidine
SMILESC/C=C1/N=CC=CN1CC.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-8-9-6-5-7-10(8)4-2;1-2/h3,5-7H,4H2,1-2H3;1-2H3/b8-3-;
InChIKeyAWOSBCXMKFJNSN-NGRDVXTNSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Methyl-2(1H)-pyrimidinylidene)methanamine
CID 21719087
Pyrimidine, 2-ethylimino-1,2-dihydro-1-methyl-
CID 89030559
Pyrimidine, 1-ethyl-1,2-dihydro-2-methylimino-
CID 142258453
methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
1-(Prop-1-en-1-yl)-1,2-dihydropyrazine
CID 71361020
Pyrimidine, 1-allyl-1,2-dihydro-2-propylimino-
CID 171384509
Pyrimidine, 2-butylimino-1,2-dihydro-1-methyl-
CID 171384684
1-Methylpyrimidine
CID 18974088
N,S-dimethyl-dihydropyrimidine
CID 22604951
3-Cyanopyrimidine
CID 23287905
n-Vinylpyrimidine
CID 23364352
1-Allylpyrimidine
CID 70006606

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-1-ethyl-2-ethylidenepyrimidine?
The IUPAC name of ethane;(2E)-1-ethyl-2-ethylidenepyrimidine (CID 142838378) is ethane;(2E)-1-ethyl-2-ethylidenepyrimidine.
What is the SMILES notation for ethane;(2E)-1-ethyl-2-ethylidenepyrimidine?
The canonical SMILES for ethane;(2E)-1-ethyl-2-ethylidenepyrimidine is C/C=C1/N=CC=CN1CC.CC.
What is the InChIKey of ethane;(2E)-1-ethyl-2-ethylidenepyrimidine?
The InChIKey is AWOSBCXMKFJNSN-NGRDVXTNSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-3-8-9-6-5-7-10(8)4-2;1-2/h3,5-7H,4H2,1-2H3;1-2H3/b8-3-;.
What are the key properties of ethane;(2E)-1-ethyl-2-ethylidenepyrimidine?
ethane;(2E)-1-ethyl-2-ethylidenepyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-1-ethyl-2-ethylidenepyrimidine is sourced from PubChem (CID 142838378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).