5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

C9H14N2O4 — CID 10727347

IUPAC5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1cn(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h5,12H,2-4,6H2,1H3,(H,10,13,14)
InChIKeyTYILRLCCGPGBHV-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.93
Rot. Bonds5

About 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10727347) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
PubChem CID10727347
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1cn(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h5,12H,2-4,6H2,1H3,(H,10,13,14)
InChIKeyTYILRLCCGPGBHV-UHFFFAOYSA-N
XLogP-0.93
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-Hydroxyethoxy)methyl]-5-(1-azido-2-iodoethyl)uracil
CID 490382
1-(2-Hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 11550598
1-(1-(2-Hydroxyethoxy)-3-azidopropyl)thymine
CID 72256
N-(2-(Hydroxyethoxy)methyl)-5-methyluracil
CID 72358
(R,S)-1-(1-(2-Hydroxyethoxy)-3-hydroxypropyl)thymine
CID 451951
1-[(1,3-Dihydroxy-2-propoxy)methyl]-5-methyluracil
CID 3010089
1-(2-Hydroxy-1-hydroxymethyl-ethoxymethyl)-5-vinyluracil
CID 10331953
1-((2-Hydroxyethoxy)methyl)-5-vinyluracil
CID 12081662
1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]-5-methyl-pyrimidine-2,4-dione
CID 482100
5-Hept-1-ynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 5274237
1-((2-Hydroxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil
CID 6450912
5-Ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 6482279

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (CID 10727347) is 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is CCc1cn(COCCO)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is TYILRLCCGPGBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h5,12H,2-4,6H2,1H3,(H,10,13,14).
What are the key properties of 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10727347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).