2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride

C9H16ClN3S — CID 86262707

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride
SMILESCc1cc(C)nc(SC(C)CN)n1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-6-4-7(2)12-9(11-6)13-8(3)5-10;/h4,8H,5,10H2,1-3H3;1H
InChIKeyGQVQFYZJDMNJTF-UHFFFAOYSA-N
MW233.77 g/mol
LogP1.95
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride

2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride (PubChem CID 86262707) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride
PubChem CID86262707
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride
SMILESCc1cc(C)nc(SC(C)CN)n1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-6-4-7(2)12-9(11-6)13-8(3)5-10;/h4,8H,5,10H2,1-3H3;1H
InChIKeyGQVQFYZJDMNJTF-UHFFFAOYSA-N
XLogP1.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine
CID 64703084
3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64632124
2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine
CID 3908136
2-amino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentanoic acid
CID 64705505
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate
CID 4992492
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62304285
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64633110
2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine
CID 54092207
N-(1-aminopropan-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119584496
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide
CID 62306169
ethyl 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(methylamino)pentanoate
CID 64703913

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride (CID 86262707) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride is Cc1cc(C)nc(SC(C)CN)n1.Cl.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride?
The InChIKey is GQVQFYZJDMNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.ClH/c1-6-4-7(2)12-9(11-6)13-8(3)5-10;/h4,8H,5,10H2,1-3H3;1H.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride?
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride has a molecular weight of 233.77 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride is sourced from PubChem (CID 86262707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).