6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione

C8H11FN2O2 — CID 164935506

IUPAC6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C8H11FN2O2/c1-8(2,3)5-4(9)6(12)11-7(13)10-5/h1-3H3,(H2,10,11,12,13)
InChIKeyZRFUIZARTABJRC-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.50
Rot. Bonds

About 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione

6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 164935506) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID164935506
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C8H11FN2O2/c1-8(2,3)5-4(9)6(12)11-7(13)10-5/h1-3H3,(H2,10,11,12,13)
InChIKeyZRFUIZARTABJRC-UHFFFAOYSA-N
XLogP0.50
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Tert-butylpyrimidine-2,4-diol
CID 817312
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
6-acetyl-5-fluoro-1H-pyrimidine-2,4-dione
CID 122413911
6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 129278642
6-Ethyl-5-fluoro-2,4(1h,3h)-pyrimidinedione
CID 141860431
6-Tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione
CID 167618381
6-Tert-butyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 824665
5,6-ditert-butyl-1H-pyrimidine-2,4-dione
CID 20658711
5,6-diethyl-1H-pyrimidine-2,4-dione
CID 22951071
3,6-Di-tert-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23591933
5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
CID 58821044
5,6-Diethylpyrimidin-1-ide-2,4-dione;yttrium
CID 59853470

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione (CID 164935506) is 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione is CC(C)(C)c1[nH]c(=O)[nH]c(=O)c1F.
What is the InChIKey of 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is ZRFUIZARTABJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-8(2,3)5-4(9)6(12)11-7(13)10-5/h1-3H3,(H2,10,11,12,13).
What are the key properties of 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 186.19 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 164935506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).