1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C20H23N5 — CID 167028014

IUPAC1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=Cc1cccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)c1/C=C\C
InChIInChI=1S/C20H23N5/c1-6-9-14-13(7-2)10-8-11-15(14)17-16-18(21)22-12-23-19(16)25(24-17)20(3,4)5/h6-12H,2H2,1,3-5H3,(H2,21,22,23)/b9-6-
InChIKeyMHIQOYFMEITZNQ-TWGQIWQCSA-N
MW333.44 g/mol
LogP4.51
Rot. Bonds3

About 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 167028014) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID167028014
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=Cc1cccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)c1/C=C\C
InChIInChI=1S/C20H23N5/c1-6-9-14-13(7-2)10-8-11-15(14)17-16-18(21)22-12-23-19(16)25(24-17)20(3,4)5/h6-12H,2H2,1,3-5H3,(H2,21,22,23)/b9-6-
InChIKeyMHIQOYFMEITZNQ-TWGQIWQCSA-N
XLogP4.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
3MB-PP1
CID 24865390
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882195
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 167028014) is 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is C=Cc1cccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)c1/C=C\C.
What is the InChIKey of 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MHIQOYFMEITZNQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C20H23N5/c1-6-9-14-13(7-2)10-8-11-15(14)17-16-18(21)22-12-23-19(16)25(24-17)20(3,4)5/h6-12H,2H2,1,3-5H3,(H2,21,22,23)/b9-6-.
What are the key properties of 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 333.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167028014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).