butane;1H-pyrimidin-6-one

C8H14N2O — CID 174559669

IUPACbutane;1H-pyrimidin-6-one
SMILESCCCC.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.C4H10/c7-4-1-2-5-3-6-4;1-3-4-2/h1-3H,(H,5,6,7);3-4H2,1-2H3
InChIKeyAHHNGSBETQDPFK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.58
Rot. Bonds1

About butane;1H-pyrimidin-6-one

butane;1H-pyrimidin-6-one (PubChem CID 174559669) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is butane;1H-pyrimidin-6-one.

Molecular Properties

Compound Namebutane;1H-pyrimidin-6-one
PubChem CID174559669
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Namebutane;1H-pyrimidin-6-one
SMILESCCCC.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.C4H10/c7-4-1-2-5-3-6-4;1-3-4-2/h1-3H,(H,5,6,7);3-4H2,1-2H3
InChIKeyAHHNGSBETQDPFK-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;1H-pyrimidin-6-one?
The IUPAC name of butane;1H-pyrimidin-6-one (CID 174559669) is butane;1H-pyrimidin-6-one.
What is the SMILES notation for butane;1H-pyrimidin-6-one?
The canonical SMILES for butane;1H-pyrimidin-6-one is CCCC.O=c1ccnc[nH]1.
What is the InChIKey of butane;1H-pyrimidin-6-one?
The InChIKey is AHHNGSBETQDPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C4H10/c7-4-1-2-5-3-6-4;1-3-4-2/h1-3H,(H,5,6,7);3-4H2,1-2H3.
What are the key properties of butane;1H-pyrimidin-6-one?
butane;1H-pyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1H-pyrimidin-6-one is sourced from PubChem (CID 174559669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).