4-(2-ethoxyethoxy)-1H-pyrimidin-6-one

C8H12N2O3 — CID 103240589

IUPAC4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
SMILESCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O3/c1-2-12-3-4-13-8-5-7(11)9-6-10-8/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyIUMVAWPTIMZAMB-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.19
Rot. Bonds5

About 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one

4-(2-ethoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240589) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240589
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
SMILESCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O3/c1-2-12-3-4-13-8-5-7(11)9-6-10-8/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyIUMVAWPTIMZAMB-UHFFFAOYSA-N
XLogP0.19
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
4-(2,2,3,3-tetrafluorobutoxy)-1H-pyrimidin-6-one
CID 157794543
4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241918
2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 23525152
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
4-(2-methylprop-2-enoxy)-1H-pyrimidin-6-one
CID 134170330
4-cyclopropyloxy-1H-pyrimidin-6-one
CID 178112215
5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179376

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one (CID 103240589) is 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one is CCOCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is IUMVAWPTIMZAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-12-3-4-13-8-5-7(11)9-6-10-8/h5-6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).