4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol

C10H15N5OS — CID 24763692

IUPAC4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol
SMILESCSc1nc(N)c2cnn(CCCCO)c2n1
InChIInChI=1S/C10H15N5OS/c1-17-10-13-8(11)7-6-12-15(9(7)14-10)4-2-3-5-16/h6,16H,2-5H2,1H3,(H2,11,13,14)
InChIKeyPPWDISMKQZKXIN-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.90
Rot. Bonds5

About 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol

4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol (PubChem CID 24763692) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol
PubChem CID24763692
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol
SMILESCSc1nc(N)c2cnn(CCCCO)c2n1
InChIInChI=1S/C10H15N5OS/c1-17-10-13-8(11)7-6-12-15(9(7)14-10)4-2-3-5-16/h6,16H,2-5H2,1H3,(H2,11,13,14)
InChIKeyPPWDISMKQZKXIN-UHFFFAOYSA-N
XLogP0.90
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 175693052
1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine
CID 101127059
1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
CID 15399250
N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 16901061
ethyl 2-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]-2-oxoacetate
CID 16900908
N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16901648
2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
CID 141176999
N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide
CID 16900924
4-bromo-N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 16900969
N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide
CID 16901014
N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 16901656
4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901676

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol?
The IUPAC name of 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol (CID 24763692) is 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol is CSc1nc(N)c2cnn(CCCCO)c2n1.
What is the InChIKey of 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol?
The InChIKey is PPWDISMKQZKXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-17-10-13-8(11)7-6-12-15(9(7)14-10)4-2-3-5-16/h6,16H,2-5H2,1H3,(H2,11,13,14).
What are the key properties of 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol?
4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol has a molecular weight of 253.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol is sourced from PubChem (CID 24763692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).