N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

C14H23N5S — CID 142715263

IUPACN-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SC)nc2c1cnn2C(C)(C)C
InChIInChI=1S/C14H23N5S/c1-6-7-8-15-11-10-9-16-19(14(2,3)4)12(10)18-13(17-11)20-5/h9H,6-8H2,1-5H3,(H,15,17,18)
InChIKeyPXAOBHBEDPZQTQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.52
Rot. Bonds5

About N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 142715263) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID142715263
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SC)nc2c1cnn2C(C)(C)C
InChIInChI=1S/C14H23N5S/c1-6-7-8-15-11-10-9-16-19(14(2,3)4)12(10)18-13(17-11)20-5/h9H,6-8H2,1-5H3,(H,15,17,18)
InChIKeyPXAOBHBEDPZQTQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (CID 142715263) is N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCNc1nc(SC)nc2c1cnn2C(C)(C)C.
What is the InChIKey of N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PXAOBHBEDPZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-6-7-8-15-11-10-9-16-19(14(2,3)4)12(10)18-13(17-11)20-5/h9H,6-8H2,1-5H3,(H,15,17,18).
What are the key properties of N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 293.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142715263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).