4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine

C7H8N4OS — CID 55264858

IUPAC4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1nc(SC)nc2[nH]ncc12
InChIInChI=1S/C7H8N4OS/c1-12-6-4-3-8-11-5(4)9-7(10-6)13-2/h3H,1-2H3,(H,8,9,10,11)
InChIKeyMHRKWCNMQRYMFO-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.08
Rot. Bonds2

About 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine

4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 55264858) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID55264858
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1nc(SC)nc2[nH]ncc12
InChIInChI=1S/C7H8N4OS/c1-12-6-4-3-8-11-5(4)9-7(10-6)13-2/h3H,1-2H3,(H,8,9,10,11)
InChIKeyMHRKWCNMQRYMFO-UHFFFAOYSA-N
XLogP1.08
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine (CID 55264858) is 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine is COc1nc(SC)nc2[nH]ncc12.
What is the InChIKey of 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is MHRKWCNMQRYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-12-6-4-3-8-11-5(4)9-7(10-6)13-2/h3H,1-2H3,(H,8,9,10,11).
What are the key properties of 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine?
4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 196.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 55264858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).