4-amino-6-methylsulfanylpyrimidine-5-carbonitrile

C6H6N4S — CID 83815913

IUPAC4-amino-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncnc(N)c1C#N
InChIInChI=1S/C6H6N4S/c1-11-6-4(2-7)5(8)9-3-10-6/h3H,1H3,(H2,8,9,10)
InChIKeyNEYRQGMPZDOOET-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.65
Rot. Bonds1

About 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile

4-amino-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 83815913) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID83815913
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name4-amino-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncnc(N)c1C#N
InChIInChI=1S/C6H6N4S/c1-11-6-4(2-7)5(8)9-3-10-6/h3H,1H3,(H2,8,9,10)
InChIKeyNEYRQGMPZDOOET-UHFFFAOYSA-N
XLogP0.65
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile (CID 83815913) is 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1ncnc(N)c1C#N.
What is the InChIKey of 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is NEYRQGMPZDOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-11-6-4(2-7)5(8)9-3-10-6/h3H,1H3,(H2,8,9,10).
What are the key properties of 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 166.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 83815913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).