2-ethoxy-4-hydroxy-1H-pyrimidin-6-one

C6H8N2O3 — CID 10197799

IUPAC2-ethoxy-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyXAFQKMFFPFLHAC-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.13
Rot. Bonds2

About 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one

2-ethoxy-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 10197799) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethoxy-4-hydroxy-1H-pyrimidin-6-one
PubChem CID10197799
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-ethoxy-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyXAFQKMFFPFLHAC-UHFFFAOYSA-N
XLogP-0.13
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one (CID 10197799) is 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one is CCOc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XAFQKMFFPFLHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
2-ethoxy-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 156.14 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 10197799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).