4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile

C9H12N4S2 — CID 141412377

IUPAC4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C9H12N4S2/c1-3-4-15-9-12-7(11)6(5-10)8(13-9)14-2/h3-4H2,1-2H3,(H2,11,12,13)
InChIKeyBSOBFTQLNJTHLG-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.15
Rot. Bonds4

About 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile

4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile (PubChem CID 141412377) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile
PubChem CID141412377
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C9H12N4S2/c1-3-4-15-9-12-7(11)6(5-10)8(13-9)14-2/h3-4H2,1-2H3,(H2,11,12,13)
InChIKeyBSOBFTQLNJTHLG-UHFFFAOYSA-N
XLogP2.15
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile (CID 141412377) is 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile is CCCSc1nc(N)c(C#N)c(SC)n1.
What is the InChIKey of 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is BSOBFTQLNJTHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-3-4-15-9-12-7(11)6(5-10)8(13-9)14-2/h3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile?
4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 240.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanyl-2-propylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 141412377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).