ethane;1H-pyrimidin-6-one

C8H16N2O — CID 164543753

IUPACethane;1H-pyrimidin-6-one
SMILESCC.CC.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.2C2H6/c7-4-1-2-5-3-6-4;2*1-2/h1-3H,(H,5,6,7);2*1-2H3
InChIKeyRWCHELGMUVVRHN-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.82
Rot. Bonds

About ethane;1H-pyrimidin-6-one

ethane;1H-pyrimidin-6-one (PubChem CID 164543753) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;1H-pyrimidin-6-one
PubChem CID164543753
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;1H-pyrimidin-6-one
SMILESCC.CC.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.2C2H6/c7-4-1-2-5-3-6-4;2*1-2/h1-3H,(H,5,6,7);2*1-2H3
InChIKeyRWCHELGMUVVRHN-UHFFFAOYSA-N
XLogP1.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrimidin-6-one?
The IUPAC name of ethane;1H-pyrimidin-6-one (CID 164543753) is ethane;1H-pyrimidin-6-one.
What is the SMILES notation for ethane;1H-pyrimidin-6-one?
The canonical SMILES for ethane;1H-pyrimidin-6-one is CC.CC.O=c1ccnc[nH]1.
What is the InChIKey of ethane;1H-pyrimidin-6-one?
The InChIKey is RWCHELGMUVVRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.2C2H6/c7-4-1-2-5-3-6-4;2*1-2/h1-3H,(H,5,6,7);2*1-2H3.
What are the key properties of ethane;1H-pyrimidin-6-one?
ethane;1H-pyrimidin-6-one has a molecular weight of 156.23 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrimidin-6-one is sourced from PubChem (CID 164543753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).