1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H25N5 — CID 59633547

IUPAC1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H25N5/c1-5-6-7-13-8-10-14(11-9-13)16-15-17(20)21-12-22-18(15)24(23-16)19(2,3)4/h8-12H,5-7H2,1-4H3,(H2,20,21,22)
InChIKeyMPTFPMFDAQXSQJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.17
Rot. Bonds4

About 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633547) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633547
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H25N5/c1-5-6-7-13-8-10-14(11-9-13)16-15-17(20)21-12-22-18(15)24(23-16)19(2,3)4/h8-12H,5-7H2,1-4H3,(H2,20,21,22)
InChIKeyMPTFPMFDAQXSQJ-UHFFFAOYSA-N
XLogP4.17
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
CID 56602612
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide
CID 135358131
1-tert-butyl-3-(1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 152742610
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350721
1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 24866803
3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine
CID 144988941
4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine
CID 82358087
1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86766176

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 59633547) is 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCCc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MPTFPMFDAQXSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-5-6-7-13-8-10-14(11-9-13)16-15-17(20)21-12-22-18(15)24(23-16)19(2,3)4/h8-12H,5-7H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).