5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione

C9H14N2O2 — CID 146633143

IUPAC5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCCC(C)(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-4-9(2,3)6-5-10-8(13)11-7(6)12/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRQOSQODTJPRCKW-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.75
Rot. Bonds2

About 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione

5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 146633143) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID146633143
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCCC(C)(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-4-9(2,3)6-5-10-8(13)11-7(6)12/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRQOSQODTJPRCKW-UHFFFAOYSA-N
XLogP0.75
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
CID 592713
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1-methyl-
CID 68250687
5-sec-Butyluracil
CID 587021
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-3-methyl-
CID 130005195
5-Cyclobutylpyrimidine-2,4(1H,3H)-dione
CID 12512060
5-(Aminopropyl) uracil
CID 18970231
1-(4,4-Dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione
CID 121459559
5-butyl-3-fluoro-1H-pyrimidine-2,4-dione
CID 174651068
5-(2-Methylpropyl)pyrimidine-2,4(1h,3h)-dione
CID 289071

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione (CID 146633143) is 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione is CCC(C)(C)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is RQOSQODTJPRCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-9(2,3)6-5-10-8(13)11-7(6)12/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione?
5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146633143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).