2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine

C14H24ClN3S — CID 80952585

IUPAC2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24ClN3S/c1-6-18(7-2)8-9-19-12-10-11(15)16-13(17-12)14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyBHPJWGJYADIUOF-UHFFFAOYSA-N
MW301.89 g/mol
LogP3.86
Rot. Bonds6

About 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine

2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine (PubChem CID 80952585) has the molecular formula C14H24ClN3S and a molecular weight of 301.89 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
PubChem CID80952585
Molecular FormulaC14H24ClN3S
Molecular Weight301.89 g/mol
Exact Mass301.14
IUPAC Name2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24ClN3S/c1-6-18(7-2)8-9-19-12-10-11(15)16-13(17-12)14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyBHPJWGJYADIUOF-UHFFFAOYSA-N
XLogP3.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.89
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine
CID 80951251
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542
2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
CID 80995478
2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine
CID 75387376
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907
6-[2-(diethylamino)ethylsulfanyl]-4-N-methylpyrimidine-2,4-diamine
CID 80890553
2-tert-butyl-4-chloro-6-(4-methylphenyl)sulfanylpyrimidine
CID 80951331
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyridin-2-amine
CID 80890812
2-tert-butyl-4-chloro-6-(2-chlorophenyl)sulfanylpyrimidine
CID 80951182
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-N,N-diethylethanamine
CID 83267824
4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
CID 80891534
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The IUPAC name of 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine (CID 80952585) is 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine.
What is the SMILES notation for 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The canonical SMILES for 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine is CCN(CC)CCSc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
The InChIKey is BHPJWGJYADIUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3S/c1-6-18(7-2)8-9-19-12-10-11(15)16-13(17-12)14(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine?
2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine has a molecular weight of 301.89 g/mol, XLogP of 3.86, 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-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 80952585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).