4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine

C11H17ClN2S — CID 63728559

IUPAC4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1SC(C)(C)C
InChIInChI=1S/C11H17ClN2S/c1-5-6-8-9(12)13-7-14-10(8)15-11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyLXIRNSNTSIKUCC-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.97
Rot. Bonds3

About 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine

4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine (PubChem CID 63728559) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine
PubChem CID63728559
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1SC(C)(C)C
InChIInChI=1S/C11H17ClN2S/c1-5-6-8-9(12)13-7-14-10(8)15-11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyLXIRNSNTSIKUCC-UHFFFAOYSA-N
XLogP3.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614
4-chloro-6-(4-nitrophenyl)sulfanyl-5-propylpyrimidine
CID 63730820
4-tert-butylsulfanyl-6-chloro-5-propan-2-ylpyrimidine
CID 63728560
4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63730604
4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
CID 63736397
4-butylsulfanyl-6-chloro-5-ethylpyrimidine
CID 63732711
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
CID 63731224
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine?
The IUPAC name of 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine (CID 63728559) is 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine.
What is the SMILES notation for 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine?
The canonical SMILES for 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine is CCCc1c(Cl)ncnc1SC(C)(C)C.
What is the InChIKey of 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine?
The InChIKey is LXIRNSNTSIKUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-5-6-8-9(12)13-7-14-10(8)15-11(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine?
4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine has a molecular weight of 244.79 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine is sourced from PubChem (CID 63728559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).