1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione

C8H11FN2O3 — CID 112598735

IUPAC1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCC(C)(C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-8(2,3)11-6(13)4(9)5(12)10-7(11)14/h13H,1-3H3,(H,10,12,14)
InChIKeyDVVFCYSZEKWZHK-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.14
Rot. Bonds

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

1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598735) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112598735
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCC(C)(C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-8(2,3)11-6(13)4(9)5(12)10-7(11)14/h13H,1-3H3,(H,10,12,14)
InChIKeyDVVFCYSZEKWZHK-UHFFFAOYSA-N
XLogP0.14
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946021
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
CID 112601517
5-fluoro-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601041
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione
CID 112600139
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112598735) is 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione is CC(C)(C)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is DVVFCYSZEKWZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-8(2,3)11-6(13)4(9)5(12)10-7(11)14/h13H,1-3H3,(H,10,12,14).
What are the key properties of 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).