2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile

C11H10N4S2 — CID 1484459

IUPAC2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)nc(-c2cccs2)c1C#N
InChIInChI=1S/C11H10N4S2/c1-2-16-10-7(6-12)9(14-11(13)15-10)8-4-3-5-17-8/h3-5H,2H2,1H3,(H2,13,14,15)
InChIKeyWWCFHNBOXRXFER-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.77
Rot. Bonds3

About 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile

2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (PubChem CID 1484459) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
PubChem CID1484459
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC Name2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)nc(-c2cccs2)c1C#N
InChIInChI=1S/C11H10N4S2/c1-2-16-10-7(6-12)9(14-11(13)15-10)8-4-3-5-17-8/h3-5H,2H2,1H3,(H2,13,14,15)
InChIKeyWWCFHNBOXRXFER-UHFFFAOYSA-N
XLogP2.77
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.77
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-thiophen-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (CID 1484459) is 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile is CCSc1nc(N)nc(-c2cccs2)c1C#N.
What is the InChIKey of 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The InChIKey is WWCFHNBOXRXFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c1-2-16-10-7(6-12)9(14-11(13)15-10)8-4-3-5-17-8/h3-5H,2H2,1H3,(H2,13,14,15).
What are the key properties of 2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
2-amino-4-ethylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 2.77, 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-thiophen-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1484459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).