2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one

C8H12N2O3 — CID 106814934

IUPAC2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-2-13-4-3-6-9-7(11)5-8(12)10-6/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyCEUVKSXLUMDSRJ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.05
Rot. Bonds4

About 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 106814934) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID106814934
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-2-13-4-3-6-9-7(11)5-8(12)10-6/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyCEUVKSXLUMDSRJ-UHFFFAOYSA-N
XLogP0.05
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-pentyl-1H-pyrimidin-6-one
CID 70233802
2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
Ethyl 2-(4-amino-6-hydroxypyrimidin-2-yl)acetate
CID 135667643
2-(1-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 176254116
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146606
4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146607
4-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842412
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842413

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 106814934) is 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one is CCOCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CEUVKSXLUMDSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-13-4-3-6-9-7(11)5-8(12)10-6/h5H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 106814934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).