2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H13Br2N5 — CID 110171350

IUPAC2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2nn(Cc3c(Br)cccc3Br)cc12
InChIInChI=1S/C18H13Br2N5/c19-14-7-4-8-15(20)12(14)9-25-10-13-16(21)22-17(23-18(13)24-25)11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,21,22,23,24)
InChIKeyUVWCNHWVPHHANN-UHFFFAOYSA-N
MW459.15 g/mol
LogP4.65
Rot. Bonds3

About 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine

2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110171350) has the molecular formula C18H13Br2N5 and a molecular weight of 459.15 g/mol. Its IUPAC name is 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110171350
Molecular FormulaC18H13Br2N5
Molecular Weight459.15 g/mol
Exact Mass456.95
IUPAC Name2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2nn(Cc3c(Br)cccc3Br)cc12
InChIInChI=1S/C18H13Br2N5/c19-14-7-4-8-15(20)12(14)9-25-10-13-16(21)22-17(23-18(13)24-25)11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,21,22,23,24)
InChIKeyUVWCNHWVPHHANN-UHFFFAOYSA-N
XLogP4.65
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.15
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110171350) is 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2)nc2nn(Cc3c(Br)cccc3Br)cc12.
What is the InChIKey of 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UVWCNHWVPHHANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2N5/c19-14-7-4-8-15(20)12(14)9-25-10-13-16(21)22-17(23-18(13)24-25)11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,21,22,23,24).
What are the key properties of 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 459.15 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110171350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).