5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile

C10H10N6OS — CID 45035823

IUPAC5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCOc1cc(-n2ncc(C#N)c2N)nc(SC)n1
InChIInChI=1S/C10H10N6OS/c1-17-8-3-7(14-10(15-8)18-2)16-9(12)6(4-11)5-13-16/h3,5H,12H2,1-2H3
InChIKeyOUYJETKHBGCBAQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.85
Rot. Bonds3

About 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile

5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile (PubChem CID 45035823) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile
PubChem CID45035823
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCOc1cc(-n2ncc(C#N)c2N)nc(SC)n1
InChIInChI=1S/C10H10N6OS/c1-17-8-3-7(14-10(15-8)18-2)16-9(12)6(4-11)5-13-16/h3,5H,12H2,1-2H3
InChIKeyOUYJETKHBGCBAQ-UHFFFAOYSA-N
XLogP0.85
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile (CID 45035823) is 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile is COc1cc(-n2ncc(C#N)c2N)nc(SC)n1.
What is the InChIKey of 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is OUYJETKHBGCBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-17-8-3-7(14-10(15-8)18-2)16-9(12)6(4-11)5-13-16/h3,5H,12H2,1-2H3.
What are the key properties of 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile?
5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 262.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 45035823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).