2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine

C11H19N3S — CID 5114603

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine
SMILESCc1cc(C)nc(SC(C)CN(C)C)n1
InChIInChI=1S/C11H19N3S/c1-8-6-9(2)13-11(12-8)15-10(3)7-14(4)5/h6,10H,7H2,1-5H3
InChIKeyCLPQXQQJCIDIAS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.14
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine (PubChem CID 5114603) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine
PubChem CID5114603
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine
SMILESCc1cc(C)nc(SC(C)CN(C)C)n1
InChIInChI=1S/C11H19N3S/c1-8-6-9(2)13-11(12-8)15-10(3)7-14(4)5/h6,10H,7H2,1-5H3
InChIKeyCLPQXQQJCIDIAS-UHFFFAOYSA-N
XLogP2.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine (CID 5114603) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine is Cc1cc(C)nc(SC(C)CN(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine?
The InChIKey is CLPQXQQJCIDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-6-9(2)13-11(12-8)15-10(3)7-14(4)5/h6,10H,7H2,1-5H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 5114603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).