2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

C6H5FN4O2 — CID 155216821

IUPAC2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2nn(F)cc2c1=O
InChIInChI=1S/C6H5FN4O2/c1-10-5(12)3-2-11(7)9-4(3)8-6(10)13/h2H,1H3,(H,8,9,13)
InChIKeyALLJNKVRNHKXOW-UHFFFAOYSA-N
MW184.13 g/mol
LogP-0.84
Rot. Bonds

About 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 155216821) has the molecular formula C6H5FN4O2 and a molecular weight of 184.13 g/mol. Its IUPAC name is 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID155216821
Molecular FormulaC6H5FN4O2
Molecular Weight184.13 g/mol
Exact Mass184.04
IUPAC Name2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2nn(F)cc2c1=O
InChIInChI=1S/C6H5FN4O2/c1-10-5(12)3-2-11(7)9-4(3)8-6(10)13/h2H,1H3,(H,8,9,13)
InChIKeyALLJNKVRNHKXOW-UHFFFAOYSA-N
XLogP-0.84
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 155216821) is 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione is Cn1c(=O)[nH]c2nn(F)cc2c1=O.
What is the InChIKey of 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is ALLJNKVRNHKXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O2/c1-10-5(12)3-2-11(7)9-4(3)8-6(10)13/h2H,1H3,(H,8,9,13).
What are the key properties of 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 184.13 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 155216821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).