3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C7H7BrN4O — CID 137158007

IUPAC3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2c(Br)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C7H7BrN4O/c1-3-9-4-5(7(13)10-3)12(2)11-6(4)8/h1-2H3,(H,9,10,13)
InChIKeyOEHHEVVLIFGCBR-UHFFFAOYSA-N
MW243.06 g/mol
LogP0.73
Rot. Bonds

About 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 137158007) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID137158007
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2c(Br)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C7H7BrN4O/c1-3-9-4-5(7(13)10-3)12(2)11-6(4)8/h1-2H3,(H,9,10,13)
InChIKeyOEHHEVVLIFGCBR-UHFFFAOYSA-N
XLogP0.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 137158007) is 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nc2c(Br)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OEHHEVVLIFGCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-3-9-4-5(7(13)10-3)12(2)11-6(4)8/h1-2H3,(H,9,10,13).
What are the key properties of 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 243.06 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,5-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 137158007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).