7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

C10H8N6S2 — CID 14202150

IUPAC7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESCSc1nc2c(C#N)c(SC)nn2c(N)c1C#N
InChIInChI=1S/C10H8N6S2/c1-17-9-5(3-11)7(13)16-8(14-9)6(4-12)10(15-16)18-2/h13H2,1-2H3
InChIKeyKEWITGDFDJILHQ-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.50
Rot. Bonds2

About 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (PubChem CID 14202150) has the molecular formula C10H8N6S2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.

Molecular Properties

Compound Name7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
PubChem CID14202150
Molecular FormulaC10H8N6S2
Molecular Weight276.35 g/mol
Exact Mass276.03
IUPAC Name7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESCSc1nc2c(C#N)c(SC)nn2c(N)c1C#N
InChIInChI=1S/C10H8N6S2/c1-17-9-5(3-11)7(13)16-8(14-9)6(4-12)10(15-16)18-2/h13H2,1-2H3
InChIKeyKEWITGDFDJILHQ-UHFFFAOYSA-N
XLogP1.50
TPSA103.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The IUPAC name of 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (CID 14202150) is 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.
What is the SMILES notation for 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The canonical SMILES for 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is CSc1nc2c(C#N)c(SC)nn2c(N)c1C#N.
What is the InChIKey of 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The InChIKey is KEWITGDFDJILHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6S2/c1-17-9-5(3-11)7(13)16-8(14-9)6(4-12)10(15-16)18-2/h13H2,1-2H3.
What are the key properties of 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile has a molecular weight of 276.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is sourced from PubChem (CID 14202150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).