5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione

C11H15FN2O3 — CID 112600139

IUPAC5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione
SMILESCC1(n2c(O)c(F)c(=O)[nH]c2=O)CCCCC1
InChIInChI=1S/C11H15FN2O3/c1-11(5-3-2-4-6-11)14-9(16)7(12)8(15)13-10(14)17/h16H,2-6H2,1H3,(H,13,15,17)
InChIKeyVVRQWJBSWIVHDB-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.06
Rot. Bonds1

About 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione (PubChem CID 112600139) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione
PubChem CID112600139
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione
SMILESCC1(n2c(O)c(F)c(=O)[nH]c2=O)CCCCC1
InChIInChI=1S/C11H15FN2O3/c1-11(5-3-2-4-6-11)14-9(16)7(12)8(15)13-10(14)17/h16H,2-6H2,1H3,(H,13,15,17)
InChIKeyVVRQWJBSWIVHDB-UHFFFAOYSA-N
XLogP1.06
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601041
6-hydroxy-5-methyl-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601044
5-ethyl-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601046
6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
CID 115948498
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 114095411
5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
CID 112601517
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 64689401
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione (CID 112600139) is 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione is CC1(n2c(O)c(F)c(=O)[nH]c2=O)CCCCC1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione?
The InChIKey is VVRQWJBSWIVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(5-3-2-4-6-11)14-9(16)7(12)8(15)13-10(14)17/h16H,2-6H2,1H3,(H,13,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione has a molecular weight of 242.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).