3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16BrN5O — CID 24905184

IUPAC3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Br)cc(-c2nn(C(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C15H16BrN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-4-10(16)6-11(5-9)22-3/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyFXCRGRHHHOSJRE-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.43
Rot. Bonds3

About 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905184) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905184
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC Name3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Br)cc(-c2nn(C(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C15H16BrN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-4-10(16)6-11(5-9)22-3/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyFXCRGRHHHOSJRE-UHFFFAOYSA-N
XLogP3.43
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
Pci 29732
CID 22347110
3-(6-Methoxynaphthalen-2-Yl)-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 49850407
3-(6-Ethoxynaphthalen-2-Yl)-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 49850435
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
CID 24905145
3-(6-Allyloxy-2-naphthyl)-1-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53344911
3-(6-Butoxy-2-naphthyl)-1-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53344912
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
1-tert-butyl-3-(3-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 9863650
1-tert-butyl-3-(3-(benzyloxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 9951440
1-isopropyl-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905168

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905184) is 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(Br)cc(-c2nn(C(C)C)c3ncnc(N)c23)c1.
What is the InChIKey of 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FXCRGRHHHOSJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-4-10(16)6-11(5-9)22-3/h4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 362.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).