(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride

C6H11Cl2N3S — CID 170918737

IUPAC(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride
SMILESCSc1nccc(CN)n1.Cl.Cl
InChIInChI=1S/C6H9N3S.2ClH/c1-10-6-8-3-2-5(4-7)9-6;;/h2-3H,4,7H2,1H3;2*1H
InChIKeyNNXKKDJTJXBKAC-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.50
Rot. Bonds2

About (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride

(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride (PubChem CID 170918737) has the molecular formula C6H11Cl2N3S and a molecular weight of 228.15 g/mol. Its IUPAC name is (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride
PubChem CID170918737
Molecular FormulaC6H11Cl2N3S
Molecular Weight228.15 g/mol
Exact Mass227.01
IUPAC Name(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride
SMILESCSc1nccc(CN)n1.Cl.Cl
InChIInChI=1S/C6H9N3S.2ClH/c1-10-6-8-3-2-5(4-7)9-6;;/h2-3H,4,7H2,1H3;2*1H
InChIKeyNNXKKDJTJXBKAC-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride?
The IUPAC name of (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride (CID 170918737) is (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride is CSc1nccc(CN)n1.Cl.Cl.
What is the InChIKey of (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride?
The InChIKey is NNXKKDJTJXBKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.2ClH/c1-10-6-8-3-2-5(4-7)9-6;;/h2-3H,4,7H2,1H3;2*1H.
What are the key properties of (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride?
(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride has a molecular weight of 228.15 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 170918737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).