1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione

C10H15N3O6 — CID 63798898

IUPAC1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
SMILESCCn1cc([N+](=O)[O-])c(=O)n(CCOCCO)c1=O
InChIInChI=1S/C10H15N3O6/c1-2-11-7-8(13(17)18)9(15)12(10(11)16)3-5-19-6-4-14/h7,14H,2-6H2,1H3
InChIKeyCKOAFDBQBBOUKB-UHFFFAOYSA-N
MW273.25 g/mol
LogP-1.05
Rot. Bonds7

About 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione

1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione (PubChem CID 63798898) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
PubChem CID63798898
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
SMILESCCn1cc([N+](=O)[O-])c(=O)n(CCOCCO)c1=O
InChIInChI=1S/C10H15N3O6/c1-2-11-7-8(13(17)18)9(15)12(10(11)16)3-5-19-6-4-14/h7,14H,2-6H2,1H3
InChIKeyCKOAFDBQBBOUKB-UHFFFAOYSA-N
XLogP-1.05
TPSA116.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione with MolForge

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Related Compounds

1-((2-Hydroxyethoxy)methyl)-5-nitrouracil
CID 512646
Ethyl 5-nitro-1-methoxymethyl-3-uracilylacetate
CID 21355699
Ethyl 2-(3-methyl-5-nitro-2,6-dioxopyrimidin-1-yl)acetate
CID 21355700
1-[2-(2-Methoxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
CID 64193032
3-(2-Methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione
CID 142683808
1,3-Bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione
CID 143044410
1-(2-Hydroxy-3-methoxypropyl)-5-nitropyrimidine-2,4-dione
CID 10922806
1-[2-(2-Hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
CID 14738458
Ethyl 2-(3-ethyl-5-nitro-2,6-dioxopyrimidin-1-yl)acetate
CID 55238618
1-Ethyl-3-(3-hydroxypropyl)-5-nitropyrimidine-2,4-dione
CID 63798895
1-Ethyl-3-(2-hydroxyethyl)-5-nitropyrimidine-2,4-dione
CID 63798896
3-[2-(2-Hydroxyethoxy)ethyl]-5-nitro-1-propylpyrimidine-2,4-dione
CID 63798902

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione (CID 63798898) is 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione is CCn1cc([N+](=O)[O-])c(=O)n(CCOCCO)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
The InChIKey is CKOAFDBQBBOUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-2-11-7-8(13(17)18)9(15)12(10(11)16)3-5-19-6-4-14/h7,14H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione has a molecular weight of 273.25 g/mol, XLogP of -1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 63798898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).