ethane;2-ethyl-1,4-dihydropyrimidine

C8H16N2 — CID 178008075

IUPACethane;2-ethyl-1,4-dihydropyrimidine
SMILESCC.CCC1=NCC=CN1
InChIInChI=1S/C6H10N2.C2H6/c1-2-6-7-4-3-5-8-6;1-2/h3-4H,2,5H2,1H3,(H,7,8);1-2H3
InChIKeyIWWATFXUENXGDP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds1

About ethane;2-ethyl-1,4-dihydropyrimidine

ethane;2-ethyl-1,4-dihydropyrimidine (PubChem CID 178008075) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;2-ethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Nameethane;2-ethyl-1,4-dihydropyrimidine
PubChem CID178008075
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;2-ethyl-1,4-dihydropyrimidine
SMILESCC.CCC1=NCC=CN1
InChIInChI=1S/C6H10N2.C2H6/c1-2-6-7-4-3-5-8-6;1-2/h3-4H,2,5H2,1H3,(H,7,8);1-2H3
InChIKeyIWWATFXUENXGDP-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1,4-dihydropyrimidine?
The IUPAC name of ethane;2-ethyl-1,4-dihydropyrimidine (CID 178008075) is ethane;2-ethyl-1,4-dihydropyrimidine.
What is the SMILES notation for ethane;2-ethyl-1,4-dihydropyrimidine?
The canonical SMILES for ethane;2-ethyl-1,4-dihydropyrimidine is CC.CCC1=NCC=CN1.
What is the InChIKey of ethane;2-ethyl-1,4-dihydropyrimidine?
The InChIKey is IWWATFXUENXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-2-6-7-4-3-5-8-6;1-2/h3-4H,2,5H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;2-ethyl-1,4-dihydropyrimidine?
ethane;2-ethyl-1,4-dihydropyrimidine has a molecular weight of 140.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 178008075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).