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

C6H8N2O3 — CID 130718959

IUPAC5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-2-11-4-5(9)7-3-8-6(4)10/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyOLZFKJCERMVDAT-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.13
Rot. Bonds2

About 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one

5-ethoxy-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 130718959) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
PubChem CID130718959
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-2-11-4-5(9)7-3-8-6(4)10/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyOLZFKJCERMVDAT-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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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
6-Hydroxy-5-methoxypyrimidin-4(3H)-one
CID 14960368
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one
CID 139596980
6-Fluoro-5-methoxy-1,4-dihydropyrimidin-4-one
CID 171035676
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
6-Amino-5-methoxypyrimidin-4(1H)-one
CID 136107868
5-Methoxy-6-methylpyrimidin-4(1H)-one
CID 136210889
CID 159039916
CID 159039916
CID 160716252
CID 160716252

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one (CID 130718959) is 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one is CCOc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is OLZFKJCERMVDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-11-4-5(9)7-3-8-6(4)10/h3H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one?
5-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 5-ethoxy-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 130718959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).