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

C10H16N2O2 — CID 136745753

IUPAC2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-8-7-10(13)12-9(11-8)5-6-14-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyKAORIUBHRNSEAT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.91
Rot. Bonds5

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

2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136745753) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136745753
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-8-7-10(13)12-9(11-8)5-6-14-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyKAORIUBHRNSEAT-UHFFFAOYSA-N
XLogP0.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 136745752
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973719
2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 136678766
4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135978360
2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 106814924
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
5-bromo-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106814942
2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
CID 136779616
4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842423
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one
CID 136802055

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one (CID 136745753) is 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one is CCOCCc1nc(CC)cc(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is KAORIUBHRNSEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8-7-10(13)12-9(11-8)5-6-14-4-2/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one?
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136745753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).