4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile

C11H14N4S2 — CID 123998375

IUPAC4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(NC2CC2)c(C#N)c(SC)n1
InChIInChI=1S/C11H14N4S2/c1-3-17-11-14-9(13-7-4-5-7)8(6-12)10(15-11)16-2/h7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyOQBIHKWPLVEQLD-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.76
Rot. Bonds5

About 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile

4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 123998375) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID123998375
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(NC2CC2)c(C#N)c(SC)n1
InChIInChI=1S/C11H14N4S2/c1-3-17-11-14-9(13-7-4-5-7)8(6-12)10(15-11)16-2/h7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyOQBIHKWPLVEQLD-UHFFFAOYSA-N
XLogP2.76
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 123998375) is 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is CCSc1nc(NC2CC2)c(C#N)c(SC)n1.
What is the InChIKey of 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is OQBIHKWPLVEQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-3-17-11-14-9(13-7-4-5-7)8(6-12)10(15-11)16-2/h7H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 266.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 123998375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).