1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione

C11H18N2O3 — CID 112547602

IUPAC1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCOC(C)(C)C)c1=O
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-8-7-13-9(14)5-6-12(4)10(13)15/h5-6H,7-8H2,1-4H3
InChIKeyFZBRYBNLCQAZOB-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.36
Rot. Bonds3

About 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione

1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione (PubChem CID 112547602) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
PubChem CID112547602
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCOC(C)(C)C)c1=O
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-8-7-13-9(14)5-6-12(4)10(13)15/h5-6H,7-8H2,1-4H3
InChIKeyFZBRYBNLCQAZOB-UHFFFAOYSA-N
XLogP0.36
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one
CID 115943814
1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55240533
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione
CID 104567364
5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
CID 112548980
3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
CID 63799617
3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
CID 65367266
3-[3-(2-methoxyethylamino)propyl]-1-methylpyrimidine-2,4-dione
CID 63812509
2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
CID 63801196
3-(2-ethylsulfanylethyl)-1-methylpyrimidine-2,4-dione
CID 115865604
3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanethioamide
CID 63800675
2,2-dimethyl-5-(3-methyl-2,6-dioxopyrimidin-1-yl)pentanethioamide
CID 65259904
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 82891914

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione (CID 112547602) is 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione is Cn1ccc(=O)n(CCOC(C)(C)C)c1=O.
What is the InChIKey of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is FZBRYBNLCQAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)16-8-7-13-9(14)5-6-12(4)10(13)15/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112547602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).