2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride

C5H11Cl2N5S — CID 69051761

IUPAC2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride
SMILESCSc1nc(N)c(N)c(N)n1.Cl.Cl
InChIInChI=1S/C5H9N5S.2ClH/c1-11-5-9-3(7)2(6)4(8)10-5;;/h6H2,1H3,(H4,7,8,9,10);2*1H
InChIKeyYKATYPRZCXDBBM-UHFFFAOYSA-N
MW244.15 g/mol
LogP0.79
Rot. Bonds1

About 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride

2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride (PubChem CID 69051761) has the molecular formula C5H11Cl2N5S and a molecular weight of 244.15 g/mol. Its IUPAC name is 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride.

Molecular Properties

Compound Name2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride
PubChem CID69051761
Molecular FormulaC5H11Cl2N5S
Molecular Weight244.15 g/mol
Exact Mass243.01
IUPAC Name2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride
SMILESCSc1nc(N)c(N)c(N)n1.Cl.Cl
InChIInChI=1S/C5H9N5S.2ClH/c1-11-5-9-3(7)2(6)4(8)10-5;;/h6H2,1H3,(H4,7,8,9,10);2*1H
InChIKeyYKATYPRZCXDBBM-UHFFFAOYSA-N
XLogP0.79
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride?
The IUPAC name of 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride (CID 69051761) is 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride.
What is the SMILES notation for 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride?
The canonical SMILES for 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride is CSc1nc(N)c(N)c(N)n1.Cl.Cl.
What is the InChIKey of 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride?
The InChIKey is YKATYPRZCXDBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5S.2ClH/c1-11-5-9-3(7)2(6)4(8)10-5;;/h6H2,1H3,(H4,7,8,9,10);2*1H.
What are the key properties of 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride?
2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride has a molecular weight of 244.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride is sourced from PubChem (CID 69051761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).