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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Related Compounds

4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 22280343
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
CID 83867203
6-chloro-5-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 71303951
6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872138
1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 175693052
N-(4-amino-6-methyl-2-methylsulfanylpyrimidin-5-yl)-N-methylformamide
CID 21059251
5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid
CID 23446130
4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 100776168
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine
CID 110191732
2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]tetrasulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine
CID 110191950
pyrimidine-2,4,5,6-tetramine dibromide
CID 131726730

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).