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

C10H8N4S2 — CID 2819127

IUPAC2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(-c2cccs2)c1C#N
InChIInChI=1S/C10H8N4S2/c1-15-9-6(5-11)8(13-10(12)14-9)7-3-2-4-16-7/h2-4H,1H3,(H2,12,13,14)
InChIKeyZOPLPOZQZUWQFF-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.38
Rot. Bonds2

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

2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (PubChem CID 2819127) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
PubChem CID2819127
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(-c2cccs2)c1C#N
InChIInChI=1S/C10H8N4S2/c1-15-9-6(5-11)8(13-10(12)14-9)7-3-2-4-16-7/h2-4H,1H3,(H2,12,13,14)
InChIKeyZOPLPOZQZUWQFF-UHFFFAOYSA-N
XLogP2.38
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (CID 2819127) is 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile is CSc1nc(N)nc(-c2cccs2)c1C#N.
What is the InChIKey of 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The InChIKey is ZOPLPOZQZUWQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c1-15-9-6(5-11)8(13-10(12)14-9)7-3-2-4-16-7/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile has a molecular weight of 248.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2819127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).