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

C12H17N5S — CID 164570984

IUPAC7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
SMILESCC.CSc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H11N5S.C2H6/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15;1-2/h12H2,1-3H3;1-2H3
InChIKeyMIHKLFXVDMHUBW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.55
Rot. Bonds1

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

7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane (PubChem CID 164570984) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane.

Molecular Properties

Compound Name7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
PubChem CID164570984
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
SMILESCC.CSc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H11N5S.C2H6/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15;1-2/h12H2,1-3H3;1-2H3
InChIKeyMIHKLFXVDMHUBW-UHFFFAOYSA-N
XLogP2.55
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.55
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;ethane?
The IUPAC name of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane (CID 164570984) is 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane.
What is the SMILES notation for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane?
The canonical SMILES for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane is CC.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;ethane?
The InChIKey is MIHKLFXVDMHUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S.C2H6/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15;1-2/h12H2,1-3H3;1-2H3.
What are the key properties of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane?
7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane has a molecular weight of 263.37 g/mol, XLogP of 2.55, 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;ethane is sourced from PubChem (CID 164570984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).