ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine

C10H17N3 — CID 178051809

IUPACethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine
SMILESC=Cn1c(C)ccn/c1=N\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-11-7(2)5-6-10-8(11)9-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-8+;
InChIKeyYOMZTWMZVSJNSI-HRNDJLQDSA-N
MW179.27 g/mol
LogP1.85
Rot. Bonds1

About ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine

ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine (PubChem CID 178051809) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine.

Molecular Properties

Compound Nameethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine
PubChem CID178051809
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine
SMILESC=Cn1c(C)ccn/c1=N\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-11-7(2)5-6-10-8(11)9-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-8+;
InChIKeyYOMZTWMZVSJNSI-HRNDJLQDSA-N
XLogP1.85
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
Pyrimidine, 2-allylimino-1,2-dihydro-1-propyl-
CID 171384034
Pyrimidine, 1-butyl-1,2-dihydro-2-methylimino-
CID 171384475
Pyrimidine, 1-allyl-1,2-dihydro-2-propylimino-
CID 171384509
Pyrimidine, 2-butylimino-1,2-dihydro-1-methyl-
CID 171384684
N-tert-butyl-1-methylpyrimidin-2-imine
CID 59485550
1,6-Dimethyl-2-methylidenepyrimidine;ethane
CID 91418894
Ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
CID 91559484
3-[(Z)-but-2-enylidene]-1-ethyl-1,2-dimethylguanidine
CID 123155667
N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine
CID 126688059

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine?
The IUPAC name of ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine (CID 178051809) is ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine.
What is the SMILES notation for ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine?
The canonical SMILES for ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine is C=Cn1c(C)ccn/c1=N\C.CC.
What is the InChIKey of ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine?
The InChIKey is YOMZTWMZVSJNSI-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-4-11-7(2)5-6-10-8(11)9-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-8+;.
What are the key properties of ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine?
ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine has a molecular weight of 179.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine is sourced from PubChem (CID 178051809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).