2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine

C11H18ClN3S — CID 80975273

IUPAC2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCCc1nc(Cl)c(C)c(SCCN(C)C)n1
InChIInChI=1S/C11H18ClN3S/c1-5-9-13-10(12)8(2)11(14-9)16-7-6-15(3)4/h5-7H2,1-4H3
InChIKeyKEHSTDZDZHKBPO-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.65
Rot. Bonds5

About 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine

2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine (PubChem CID 80975273) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
PubChem CID80975273
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCCc1nc(Cl)c(C)c(SCCN(C)C)n1
InChIInChI=1S/C11H18ClN3S/c1-5-9-13-10(12)8(2)11(14-9)16-7-6-15(3)4/h5-7H2,1-4H3
InChIKeyKEHSTDZDZHKBPO-UHFFFAOYSA-N
XLogP2.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine (CID 80975273) is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine is CCc1nc(Cl)c(C)c(SCCN(C)C)n1.
What is the InChIKey of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The InChIKey is KEHSTDZDZHKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-5-9-13-10(12)8(2)11(14-9)16-7-6-15(3)4/h5-7H2,1-4H3.
What are the key properties of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine has a molecular weight of 259.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 80975273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).