7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C10H11N5S — CID 164570758

IUPAC7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H11N5S/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15/h12H2,1-3H3
InChIKeyPFMDGPFTNKYTKK-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.52
Rot. Bonds1

About 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570758) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570758
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H11N5S/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15/h12H2,1-3H3
InChIKeyPFMDGPFTNKYTKK-UHFFFAOYSA-N
XLogP1.52
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570758) is 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1nc2c(C)c(C)nn2c(N)c1C#N.
What is the InChIKey of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is PFMDGPFTNKYTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15/h12H2,1-3H3.
What are the key properties of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).