1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide

C15H18BrClN6 — CID 56602612

IUPAC1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
SMILESBr.CC(C)(CN)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H17ClN6.BrH/c1-15(2,7-17)22-14-11(13(18)19-8-20-14)12(21-22)9-3-5-10(16)6-4-9;/h3-6,8H,7,17H2,1-2H3,(H2,18,19,20);1H
InChIKeyUXPVEYJFRJUXOX-UHFFFAOYSA-N
MW397.71 g/mol
LogP3.00
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide

1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide (PubChem CID 56602612) has the molecular formula C15H18BrClN6 and a molecular weight of 397.71 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
PubChem CID56602612
Molecular FormulaC15H18BrClN6
Molecular Weight397.71 g/mol
Exact Mass396.05
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
SMILESBr.CC(C)(CN)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H17ClN6.BrH/c1-15(2,7-17)22-14-11(13(18)19-8-20-14)12(21-22)9-3-5-10(16)6-4-9;/h3-6,8H,7,17H2,1-2H3,(H2,18,19,20);1H
InChIKeyUXPVEYJFRJUXOX-UHFFFAOYSA-N
XLogP3.00
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.71
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547
4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 70828538
N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 1471842
1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70828560
3-(4-chlorophenyl)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633694
3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633644
1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866969
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121242363
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide
CID 56603447
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide
CID 56602610
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide (CID 56602612) is 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide is Br.CC(C)(CN)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide?
The InChIKey is UXPVEYJFRJUXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6.BrH/c1-15(2,7-17)22-14-11(13(18)19-8-20-14)12(21-22)9-3-5-10(16)6-4-9;/h3-6,8H,7,17H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide?
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide has a molecular weight of 397.71 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide is sourced from PubChem (CID 56602612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).