4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one

C12H9Cl2N5O — CID 15698865

IUPAC4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3cc(Cl)ccc3Cl)c2nc1=O
InChIInChI=1S/C12H9Cl2N5O/c1-18-10(15)7-5-16-19(11(7)17-12(18)20)9-4-6(13)2-3-8(9)14/h2-5H,15H2,1H3
InChIKeyPPIZCEJYBNNZRE-UHFFFAOYSA-N
MW310.14 g/mol
LogP2.01
Rot. Bonds1

About 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one

4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698865) has the molecular formula C12H9Cl2N5O and a molecular weight of 310.14 g/mol. Its IUPAC name is 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698865
Molecular FormulaC12H9Cl2N5O
Molecular Weight310.14 g/mol
Exact Mass309.02
IUPAC Name4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3cc(Cl)ccc3Cl)c2nc1=O
InChIInChI=1S/C12H9Cl2N5O/c1-18-10(15)7-5-16-19(11(7)17-12(18)20)9-4-6(13)2-3-8(9)14/h2-5H,15H2,1H3
InChIKeyPPIZCEJYBNNZRE-UHFFFAOYSA-N
XLogP2.01
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698865) is 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is Cn1c(N)c2cnn(-c3cc(Cl)ccc3Cl)c2nc1=O.
What is the InChIKey of 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is PPIZCEJYBNNZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5O/c1-18-10(15)7-5-16-19(11(7)17-12(18)20)9-4-6(13)2-3-8(9)14/h2-5H,15H2,1H3.
What are the key properties of 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 310.14 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dichlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).