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

C15H16BrN5 — CID 63276754

IUPAC1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2c1cnn2Cc1ccccc1Br
InChIInChI=1S/C15H16BrN5/c1-2-7-17-14-12-8-20-21(15(12)19-10-18-14)9-11-5-3-4-6-13(11)16/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,19)
InChIKeyOKZWOUDKZBPKND-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.46
Rot. Bonds5

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

1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63276754) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63276754
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2c1cnn2Cc1ccccc1Br
InChIInChI=1S/C15H16BrN5/c1-2-7-17-14-12-8-20-21(15(12)19-10-18-14)9-11-5-3-4-6-13(11)16/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,19)
InChIKeyOKZWOUDKZBPKND-UHFFFAOYSA-N
XLogP3.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63276712
1-[(2-bromophenyl)methyl]-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726333
1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 104508918
1-[(2-bromophenyl)methyl]-3-ethyl-1-methyl-2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine
CID 111276137
N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63266231
1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 711559
1-(3-bromophenyl)-N-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432149
1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80725826
1-[(2-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 40840654
N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63023995
2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774098
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63276754) is 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1ncnc2c1cnn2Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OKZWOUDKZBPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-2-7-17-14-12-8-20-21(15(12)19-10-18-14)9-11-5-3-4-6-13(11)16/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 346.23 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63276754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).