N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C10H15N5S — CID 72721028

IUPACN-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SC)nc2[nH]ncc12
InChIInChI=1S/C10H15N5S/c1-3-4-5-11-8-7-6-12-15-9(7)14-10(13-8)16-2/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyARRYWMYEPYICLV-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.29
Rot. Bonds5

About N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72721028) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID72721028
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SC)nc2[nH]ncc12
InChIInChI=1S/C10H15N5S/c1-3-4-5-11-8-7-6-12-15-9(7)14-10(13-8)16-2/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyARRYWMYEPYICLV-UHFFFAOYSA-N
XLogP2.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 72721028) is N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCCCNc1nc(SC)nc2[nH]ncc12.
What is the InChIKey of N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ARRYWMYEPYICLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-3-4-5-11-8-7-6-12-15-9(7)14-10(13-8)16-2/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72721028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).