N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C9H13N5S — CID 133305074

IUPACN-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCSCCCNc1ncnc2[nH]ncc12
InChIInChI=1S/C9H13N5S/c1-15-4-2-3-10-8-7-5-13-14-9(7)12-6-11-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyCKSMIEYZPKRSSJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.52
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133305074) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133305074
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC NameN-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCSCCCNc1ncnc2[nH]ncc12
InChIInChI=1S/C9H13N5S/c1-15-4-2-3-10-8-7-5-13-14-9(7)12-6-11-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyCKSMIEYZPKRSSJ-UHFFFAOYSA-N
XLogP1.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.52
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-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133305074) is N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CSCCCNc1ncnc2[nH]ncc12.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CKSMIEYZPKRSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-15-4-2-3-10-8-7-5-13-14-9(7)12-6-11-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 223.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133305074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).