1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H13FN2O3 — CID 114095411

IUPAC1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2(C3CC3)CC2)c(O)c1F
InChIInChI=1S/C11H13FN2O3/c12-7-8(15)13-10(17)14(9(7)16)5-11(3-4-11)6-1-2-6/h6,16H,1-5H2,(H,13,15,17)
InChIKeyXGPYWTLVMSKBHR-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.57
Rot. Bonds3

About 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 114095411) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID114095411
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2(C3CC3)CC2)c(O)c1F
InChIInChI=1S/C11H13FN2O3/c12-7-8(15)13-10(17)14(9(7)16)5-11(3-4-11)6-1-2-6/h6,16H,1-5H2,(H,13,15,17)
InChIKeyXGPYWTLVMSKBHR-UHFFFAOYSA-N
XLogP0.57
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
5-fluoro-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601041
5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione
CID 112600139
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
5-fluoro-6-hydroxy-1-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-dione
CID 112601304
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112601153
5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106941

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 114095411) is 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2(C3CC3)CC2)c(O)c1F.
What is the InChIKey of 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is XGPYWTLVMSKBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-8(15)13-10(17)14(9(7)16)5-11(3-4-11)6-1-2-6/h6,16H,1-5H2,(H,13,15,17).
What are the key properties of 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 240.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 114095411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).