2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine

C15H26ClN3S — CID 80978126

IUPAC2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C15H26ClN3S/c1-7-19(8-2)9-10-20-13-11(3)12(16)17-14(18-13)15(4,5)6/h7-10H2,1-6H3
InChIKeyKYMJWEFOYORITB-UHFFFAOYSA-N
MW315.91 g/mol
LogP4.17
Rot. Bonds6

About 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine

2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine (PubChem CID 80978126) has the molecular formula C15H26ClN3S and a molecular weight of 315.91 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
PubChem CID80978126
Molecular FormulaC15H26ClN3S
Molecular Weight315.91 g/mol
Exact Mass315.15
IUPAC Name2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C15H26ClN3S/c1-7-19(8-2)9-10-20-13-11(3)12(16)17-14(18-13)15(4,5)6/h7-10H2,1-6H3
InChIKeyKYMJWEFOYORITB-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The IUPAC name of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine (CID 80978126) is 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine.
What is the SMILES notation for 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The canonical SMILES for 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine is CCN(CC)CCSc1nc(C(C)(C)C)nc(Cl)c1C.
What is the InChIKey of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The InChIKey is KYMJWEFOYORITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3S/c1-7-19(8-2)9-10-20-13-11(3)12(16)17-14(18-13)15(4,5)6/h7-10H2,1-6H3.
What are the key properties of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine has a molecular weight of 315.91 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 80978126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).