1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione

C13H11FN4O2 — CID 169265766

IUPAC1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione
SMILESCc1ccc2c(-n3cc(F)c(=O)[nH]c3=O)nn(C)c2c1
InChIInChI=1S/C13H11FN4O2/c1-7-3-4-8-10(5-7)17(2)16-11(8)18-6-9(14)12(19)15-13(18)20/h3-6H,1-2H3,(H,15,19,20)
InChIKeyFWWIJWRORIMJFH-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.86
Rot. Bonds1

About 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione

1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione (PubChem CID 169265766) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione
PubChem CID169265766
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione
SMILESCc1ccc2c(-n3cc(F)c(=O)[nH]c3=O)nn(C)c2c1
InChIInChI=1S/C13H11FN4O2/c1-7-3-4-8-10(5-7)17(2)16-11(8)18-6-9(14)12(19)15-13(18)20/h3-6H,1-2H3,(H,15,19,20)
InChIKeyFWWIJWRORIMJFH-UHFFFAOYSA-N
XLogP0.86
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione
CID 170322271
3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928810
1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride
CID 174219883
1,6-dimethylindazole-3-carbaldehyde
CID 20781370
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione
CID 156505740
5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
CID 562851
5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
CID 162683751
2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid
CID 83910246
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
4,7-dimethyl-1H-quinoxaline-2,3-dione
CID 18788081
3,6-diiodo-2H-indazole;3-iodo-1,6-dimethylindazole;methane
CID 159198421

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione (CID 169265766) is 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione is Cc1ccc2c(-n3cc(F)c(=O)[nH]c3=O)nn(C)c2c1.
What is the InChIKey of 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is FWWIJWRORIMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-7-3-4-8-10(5-7)17(2)16-11(8)18-6-9(14)12(19)15-13(18)20/h3-6H,1-2H3,(H,15,19,20).
What are the key properties of 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione?
1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 274.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 169265766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).