3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

C7H7BrN4O — CID 15563729

IUPAC3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2ncn(C)c(=O)c2c1Br
InChIInChI=1S/C7H7BrN4O/c1-11-3-9-6-4(7(11)13)5(8)12(2)10-6/h3H,1-2H3
InChIKeyKYENLPVZGMZYND-UHFFFAOYSA-N
MW243.06 g/mol
LogP0.43
Rot. Bonds

About 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 15563729) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID15563729
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2ncn(C)c(=O)c2c1Br
InChIInChI=1S/C7H7BrN4O/c1-11-3-9-6-4(7(11)13)5(8)12(2)10-6/h3H,1-2H3
InChIKeyKYENLPVZGMZYND-UHFFFAOYSA-N
XLogP0.43
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (CID 15563729) is 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is Cn1nc2ncn(C)c(=O)c2c1Br.
What is the InChIKey of 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is KYENLPVZGMZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-11-3-9-6-4(7(11)13)5(8)12(2)10-6/h3H,1-2H3.
What are the key properties of 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 243.06 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 15563729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).