5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione

C8H13N3O3 — CID 63801121

IUPAC5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione
SMILESCCOCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O3/c1-2-14-4-3-11-5-6(9)7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyUHMRHEFXHYWPHA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.84
Rot. Bonds4

About 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione

5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione (PubChem CID 63801121) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione
PubChem CID63801121
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione
SMILESCCOCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O3/c1-2-14-4-3-11-5-6(9)7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyUHMRHEFXHYWPHA-UHFFFAOYSA-N
XLogP-0.84
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.84
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-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione
CID 165473870
5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione
CID 165472065
5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 63799206
methyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
CID 63799383
5-chloro-1-[2-(3-ethoxypropylamino)ethyl]pyrimidine-2,4-dione
CID 66424395
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(2-ethoxyethyl)pyrimidine-2,4-dione
CID 129218180
5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione
CID 115114598
5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63801481
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione
CID 106929489
5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
CID 113427652

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione (CID 63801121) is 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione is CCOCCn1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione?
The InChIKey is UHMRHEFXHYWPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-14-4-3-11-5-6(9)7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13).
What are the key properties of 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione?
5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione has a molecular weight of 199.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63801121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).