5-tert-butyl-1-ethylpyrimidine-2,4-dione

C10H16N2O2 — CID 174338595

IUPAC5-tert-butyl-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-5-12-6-7(10(2,3)4)8(13)11-9(12)14/h6H,5H2,1-4H3,(H,11,13,14)
InChIKeyIXBWBKJHJLMTMZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.85
Rot. Bonds1

About 5-tert-butyl-1-ethylpyrimidine-2,4-dione

5-tert-butyl-1-ethylpyrimidine-2,4-dione (PubChem CID 174338595) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-tert-butyl-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-1-ethylpyrimidine-2,4-dione
PubChem CID174338595
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-tert-butyl-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-5-12-6-7(10(2,3)4)8(13)11-9(12)14/h6H,5H2,1-4H3,(H,11,13,14)
InChIKeyIXBWBKJHJLMTMZ-UHFFFAOYSA-N
XLogP0.85
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-ethyl-1H-imidazol-2-one
CID 117190004
1-ethyl-5-(3-hydroxyprop-1-ynyl)pyrimidine-2,4-dione
CID 169267134
5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione
CID 165472065
4-tert-butyl-2-ethyl-1,2-oxazol-5-one
CID 67988900
5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 91284540
1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione
CID 66424190
1-(2,2-dimethylbutyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 103466425
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione
CID 131007523
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide
CID 91529616
5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione
CID 66423993

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 5-tert-butyl-1-ethylpyrimidine-2,4-dione (CID 174338595) is 5-tert-butyl-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-1-ethylpyrimidine-2,4-dione is CCn1cc(C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-tert-butyl-1-ethylpyrimidine-2,4-dione?
The InChIKey is IXBWBKJHJLMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-12-6-7(10(2,3)4)8(13)11-9(12)14/h6H,5H2,1-4H3,(H,11,13,14).
What are the key properties of 5-tert-butyl-1-ethylpyrimidine-2,4-dione?
5-tert-butyl-1-ethylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 174338595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).