2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine

C10H15ClN2S — CID 80951251

IUPAC2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine
SMILESCCSc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-5-14-8-6-7(11)12-9(13-8)10(2,3)4/h6H,5H2,1-4H3
InChIKeyDDXHJBWGCCAZQI-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.54
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine

2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine (PubChem CID 80951251) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine
PubChem CID80951251
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine
SMILESCCSc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-5-14-8-6-7(11)12-9(13-8)10(2,3)4/h6H,5H2,1-4H3
InChIKeyDDXHJBWGCCAZQI-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 80952585
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
4-chloro-6-ethylsulfanyl-2-propan-2-ylpyrimidine
CID 80951252
2-tert-butyl-4-chloro-6-(4-methylphenyl)sulfanylpyrimidine
CID 80951331
2-tert-butyl-4-chloro-6-(2-chlorophenyl)sulfanylpyrimidine
CID 80951182
(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
CID 83852104
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
CID 63355304
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine (CID 80951251) is 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine is CCSc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine?
The InChIKey is DDXHJBWGCCAZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-5-14-8-6-7(11)12-9(13-8)10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine?
2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine has a molecular weight of 230.76 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine is sourced from PubChem (CID 80951251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).