ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one

C8H14N2O2 — CID 144538350

IUPACethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC.CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O2.C2H6/c1-2-4-7-5(9)3-6(10)8-4;1-2/h3H,2H2,1H3,(H2,7,8,9,10);1-2H3
InChIKeyDCXFXIHHEUSKFK-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.06
Rot. Bonds1

About ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one

ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 144538350) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID144538350
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC.CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O2.C2H6/c1-2-4-7-5(9)3-6(10)8-4;1-2/h3H,2H2,1H3,(H2,7,8,9,10);1-2H3
InChIKeyDCXFXIHHEUSKFK-UHFFFAOYSA-N
XLogP1.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-amino-6-hydroxypyrimidine
CID 135431330
4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-hexyl-4-hydroxy-1H-pyrimidin-6-one
CID 23042624
2-heptyl-4-hydroxy-1H-pyrimidin-6-one
CID 127044143
4-hydroxy-2-octyl-1H-pyrimidin-6-one
CID 127044149
4-hydroxy-2-nonyl-1H-pyrimidin-6-one
CID 127044607
4-hydroxy-2-pentyl-1H-pyrimidin-6-one
CID 70233802
4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
CID 127044148
5-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)pentanenitrile
CID 127043659
2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2,5-Dimethylpyrimidine-4,6-diol
CID 237015
2-Propylpyrimidine-4,6-diol
CID 12280642

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 144538350) is ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one is CC.CCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DCXFXIHHEUSKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C2H6/c1-2-4-7-5(9)3-6(10)8-4;1-2/h3H,2H2,1H3,(H2,7,8,9,10);1-2H3.
What are the key properties of ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 170.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 144538350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).