1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5 — CID 10492061

IUPAC1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyMVIHEGXCXLFEMC-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.83
Rot. Bonds1

About 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 10492061) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID10492061
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyMVIHEGXCXLFEMC-UHFFFAOYSA-N
XLogP2.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
Bemitradine
CID 55784
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
Unc569
CID 53355503
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
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
5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 10492061) is 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MVIHEGXCXLFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 10492061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).