ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane

C13H26N2 — CID 91559484

IUPACethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
SMILESC=C1N=CC=C(C)N1CC.CC.CCC
InChIInChI=1S/C8H12N2.C3H8.C2H6/c1-4-10-7(2)5-6-9-8(10)3;1-3-2;1-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyBHYNIWIRPKRACN-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds1

About ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane

ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane (PubChem CID 91559484) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane.

Molecular Properties

Compound Nameethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
PubChem CID91559484
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
SMILESC=C1N=CC=C(C)N1CC.CC.CCC
InChIInChI=1S/C8H12N2.C3H8.C2H6/c1-4-10-7(2)5-6-9-8(10)3;1-3-2;1-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyBHYNIWIRPKRACN-UHFFFAOYSA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diethyl-4-methylpyrimidin-1-ium-2-thione chloride
CID 12097286
1,3-Diethyl-4-methylpyrimidin-1-ium-2-thione
CID 12097287
4-Methyl-1,3-dipropylpyrimidin-1-ium-2-thione chloride
CID 12097289
4-Methyl-1,3-dipropylpyrimidin-1-ium-2-thione
CID 12097290
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
1,6-Dimethyl-2-methylidenepyrimidine
CID 58719906
1-Ethyl-6-methyl-2-methylidenepyrimidine
CID 58719966
4-methyl-6H-pyrimido[1,6-a]pyrimidine
CID 68250928
(2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine
CID 89263549
1,1-diethyl-2H-pyrimidin-1-ium
CID 91357247
1,6-Dimethyl-2-methylidenepyrimidine;ethane
CID 91418894
1-bromo-2,6-dimethyl-2H-pyrimidine
CID 117762994

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane?
The IUPAC name of ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane (CID 91559484) is ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane.
What is the SMILES notation for ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane?
The canonical SMILES for ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane is C=C1N=CC=C(C)N1CC.CC.CCC.
What is the InChIKey of ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane?
The InChIKey is BHYNIWIRPKRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C3H8.C2H6/c1-4-10-7(2)5-6-9-8(10)3;1-3-2;1-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane?
ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane has a molecular weight of 210.36 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane is sourced from PubChem (CID 91559484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).