2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine

C10H15Cl2N3S — CID 79632122

IUPAC2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H15Cl2N3S/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3
InChIKeyPOXLYXMJXYYWFX-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.22
Rot. Bonds6

About 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine

2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine (PubChem CID 79632122) has the molecular formula C10H15Cl2N3S and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
PubChem CID79632122
Molecular FormulaC10H15Cl2N3S
Molecular Weight280.22 g/mol
Exact Mass279.04
IUPAC Name2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H15Cl2N3S/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3
InChIKeyPOXLYXMJXYYWFX-UHFFFAOYSA-N
XLogP3.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The IUPAC name of 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine (CID 79632122) is 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine.
What is the SMILES notation for 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The canonical SMILES for 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine is CCN(CC)CCSc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The InChIKey is POXLYXMJXYYWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3S/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine has a molecular weight of 280.22 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 79632122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).