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

C12H10BrN5O — CID 15698855

IUPAC4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3ccc(Br)cc3)c2nc1=O
InChIInChI=1S/C12H10BrN5O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-7(13)3-5-8/h2-6H,14H2,1H3
InChIKeyNTLJWICHCBSHDJ-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.46
Rot. Bonds1

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

4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698855) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698855
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3ccc(Br)cc3)c2nc1=O
InChIInChI=1S/C12H10BrN5O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-7(13)3-5-8/h2-6H,14H2,1H3
InChIKeyNTLJWICHCBSHDJ-UHFFFAOYSA-N
XLogP1.46
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698855) is 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is Cn1c(N)c2cnn(-c3ccc(Br)cc3)c2nc1=O.
What is the InChIKey of 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is NTLJWICHCBSHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-7(13)3-5-8/h2-6H,14H2,1H3.
What are the key properties of 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 320.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).