2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile

C8H10N4S2 — CID 950046

IUPAC2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)nc(SC)c1C#N
InChIInChI=1S/C8H10N4S2/c1-3-14-7-5(4-9)6(13-2)11-8(10)12-7/h3H2,1-2H3,(H2,10,11,12)
InChIKeyIHZYPMLAOYDZHW-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile

2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 950046) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID950046
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)nc(SC)c1C#N
InChIInChI=1S/C8H10N4S2/c1-3-14-7-5(4-9)6(13-2)11-8(10)12-7/h3H2,1-2H3,(H2,10,11,12)
InChIKeyIHZYPMLAOYDZHW-UHFFFAOYSA-N
XLogP1.76
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 950046) is 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is CCSc1nc(N)nc(SC)c1C#N.
What is the InChIKey of 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is IHZYPMLAOYDZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-3-14-7-5(4-9)6(13-2)11-8(10)12-7/h3H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 226.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 950046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).