ethane;1H-pyrimidin-2-one

C6H10N2O — CID 143604153

IUPACethane;1H-pyrimidin-2-one
SMILESCC.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C2H6/c7-4-5-2-1-3-6-4;1-2/h1-3H,(H,5,6,7);1-2H3
InChIKeyDNAIZPYRKGMNNX-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.80
Rot. Bonds

About ethane;1H-pyrimidin-2-one

ethane;1H-pyrimidin-2-one (PubChem CID 143604153) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is ethane;1H-pyrimidin-2-one.

Molecular Properties

Compound Nameethane;1H-pyrimidin-2-one
PubChem CID143604153
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Nameethane;1H-pyrimidin-2-one
SMILESCC.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C2H6/c7-4-5-2-1-3-6-4;1-2/h1-3H,(H,5,6,7);1-2H3
InChIKeyDNAIZPYRKGMNNX-UHFFFAOYSA-N
XLogP0.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrimidin-2-one?
The IUPAC name of ethane;1H-pyrimidin-2-one (CID 143604153) is ethane;1H-pyrimidin-2-one.
What is the SMILES notation for ethane;1H-pyrimidin-2-one?
The canonical SMILES for ethane;1H-pyrimidin-2-one is CC.O=c1nccc[nH]1.
What is the InChIKey of ethane;1H-pyrimidin-2-one?
The InChIKey is DNAIZPYRKGMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C2H6/c7-4-5-2-1-3-6-4;1-2/h1-3H,(H,5,6,7);1-2H3.
What are the key properties of ethane;1H-pyrimidin-2-one?
ethane;1H-pyrimidin-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrimidin-2-one is sourced from PubChem (CID 143604153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).