2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine

C10H17N3S — CID 747180

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
SMILESCc1cc(C)nc(SCCN(C)C)n1
InChIInChI=1S/C10H17N3S/c1-8-7-9(2)12-10(11-8)14-6-5-13(3)4/h7H,5-6H2,1-4H3
InChIKeyMEYCPYGYJTXWQU-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.75
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine (PubChem CID 747180) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
PubChem CID747180
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
SMILESCc1cc(C)nc(SCCN(C)C)n1
InChIInChI=1S/C10H17N3S/c1-8-7-9(2)12-10(11-8)14-6-5-13(3)4/h7H,5-6H2,1-4H3
InChIKeyMEYCPYGYJTXWQU-UHFFFAOYSA-N
XLogP1.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.75
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-dimethylethanamine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine (CID 747180) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine is Cc1cc(C)nc(SCCN(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine?
The InChIKey is MEYCPYGYJTXWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-7-9(2)12-10(11-8)14-6-5-13(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.75, 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-dimethylethanamine is sourced from PubChem (CID 747180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).