1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

C15H25N5S — CID 107756434

IUPAC1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCSCc1nc(NCCC)c2cnn(C)c2n1
InChIInChI=1S/C15H25N5S/c1-4-6-7-9-21-11-13-18-14(16-8-5-2)12-10-17-20(3)15(12)19-13/h10H,4-9,11H2,1-3H3,(H,16,18,19)
InChIKeyWBQYAGLKYVMUHT-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.61
Rot. Bonds9

About 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 107756434) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID107756434
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCSCc1nc(NCCC)c2cnn(C)c2n1
InChIInChI=1S/C15H25N5S/c1-4-6-7-9-21-11-13-18-14(16-8-5-2)12-10-17-20(3)15(12)19-13/h10H,4-9,11H2,1-3H3,(H,16,18,19)
InChIKeyWBQYAGLKYVMUHT-UHFFFAOYSA-N
XLogP3.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.61
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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Related Compounds

N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756628
6-chloro-N-hexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460054
3-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]propane-1,2-diol
CID 79670267
1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220654
6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221107
[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63660317
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220569
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795322
N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221979
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72889142

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 107756434) is 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCSCc1nc(NCCC)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WBQYAGLKYVMUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-4-6-7-9-21-11-13-18-14(16-8-5-2)12-10-17-20(3)15(12)19-13/h10H,4-9,11H2,1-3H3,(H,16,18,19).
What are the key properties of 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 307.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 107756434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).