1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16BrN5 — CID 80725826

IUPAC1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C)nc2c1cnn2-c1ccccc1Br
InChIInChI=1S/C15H16BrN5/c1-3-8-17-14-11-9-18-21(15(11)20-10(2)19-14)13-7-5-4-6-12(13)16/h4-7,9H,3,8H2,1-2H3,(H,17,19,20)
InChIKeyMLJXZNVLXKMRSG-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.71
Rot. Bonds4

About 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80725826) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80725826
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C)nc2c1cnn2-c1ccccc1Br
InChIInChI=1S/C15H16BrN5/c1-3-8-17-14-11-9-18-21(15(11)20-10(2)19-14)13-7-5-4-6-12(13)16/h4-7,9H,3,8H2,1-2H3,(H,17,19,20)
InChIKeyMLJXZNVLXKMRSG-UHFFFAOYSA-N
XLogP3.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80725826) is 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(C)nc2c1cnn2-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MLJXZNVLXKMRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-3-8-17-14-11-9-18-21(15(11)20-10(2)19-14)13-7-5-4-6-12(13)16/h4-7,9H,3,8H2,1-2H3,(H,17,19,20).
What are the key properties of 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 346.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).