4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide

C10H14N6O — CID 59633528

IUPAC4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCC(C)(C)n1nc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H14N6O/c1-10(2,3)16-9-5(6(15-16)8(12)17)7(11)13-4-14-9/h4H,1-3H3,(H2,12,17)(H2,11,13,14)
InChIKeyIXOHTTGHTKNRKT-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.26
Rot. Bonds1

About 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide

4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 59633528) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID59633528
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCC(C)(C)n1nc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H14N6O/c1-10(2,3)16-9-5(6(15-16)8(12)17)7(11)13-4-14-9/h4H,1-3H3,(H2,12,17)(H2,11,13,14)
InChIKeyIXOHTTGHTKNRKT-UHFFFAOYSA-N
XLogP0.26
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
6-Amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732278
6-Amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732279
1H-Pyrazolo(3,4-d)pyrimidine-3-carboxamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 516155
6-Amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732280
1-(Trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 141444958
4-amino-N-[(Z)-1,3-diamino-4,4,4-trifluorobut-2-enylidene]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 145272306
4-amino-1-tert-butyl-N-[3-(trifluoromethyl)-2H-pyrrol-5-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 149169303
4-Chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 175910736
3-Carbamoyl-4,6-diaminopyrazolo[3,4-d]pyrimidine
CID 129778006
4-Amino-1-methyl-1h-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 275455
4-Amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 59633468

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 59633528) is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide is CC(C)(C)n1nc(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is IXOHTTGHTKNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-10(2,3)16-9-5(6(15-16)8(12)17)7(11)13-4-14-9/h4H,1-3H3,(H2,12,17)(H2,11,13,14).
What are the key properties of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 59633528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).