ethane;methoxyethane;1H-pyrimidin-6-one

C13H30N2O2 — CID 90742296

IUPACethane;methoxyethane;1H-pyrimidin-6-one
SMILESCC.CC.CC.CCOC.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.C3H8O.3C2H6/c7-4-1-2-5-3-6-4;1-3-4-2;3*1-2/h1-3H,(H,5,6,7);3H2,1-2H3;3*1-2H3
InChIKeyLNKKWDWXWDLPRU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.50
Rot. Bonds1

About ethane;methoxyethane;1H-pyrimidin-6-one

ethane;methoxyethane;1H-pyrimidin-6-one (PubChem CID 90742296) has the molecular formula C13H30N2O2 and a molecular weight of 246.40 g/mol. Its IUPAC name is ethane;methoxyethane;1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;methoxyethane;1H-pyrimidin-6-one
PubChem CID90742296
Molecular FormulaC13H30N2O2
Molecular Weight246.40 g/mol
Exact Mass246.23
IUPAC Nameethane;methoxyethane;1H-pyrimidin-6-one
SMILESCC.CC.CC.CCOC.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.C3H8O.3C2H6/c7-4-1-2-5-3-6-4;1-3-4-2;3*1-2/h1-3H,(H,5,6,7);3H2,1-2H3;3*1-2H3
InChIKeyLNKKWDWXWDLPRU-UHFFFAOYSA-N
XLogP3.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methoxyethane;1H-pyrimidin-6-one?
The IUPAC name of ethane;methoxyethane;1H-pyrimidin-6-one (CID 90742296) is ethane;methoxyethane;1H-pyrimidin-6-one.
What is the SMILES notation for ethane;methoxyethane;1H-pyrimidin-6-one?
The canonical SMILES for ethane;methoxyethane;1H-pyrimidin-6-one is CC.CC.CC.CCOC.O=c1ccnc[nH]1.
What is the InChIKey of ethane;methoxyethane;1H-pyrimidin-6-one?
The InChIKey is LNKKWDWXWDLPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C3H8O.3C2H6/c7-4-1-2-5-3-6-4;1-3-4-2;3*1-2/h1-3H,(H,5,6,7);3H2,1-2H3;3*1-2H3.
What are the key properties of ethane;methoxyethane;1H-pyrimidin-6-one?
ethane;methoxyethane;1H-pyrimidin-6-one has a molecular weight of 246.40 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxyethane;1H-pyrimidin-6-one is sourced from PubChem (CID 90742296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).