4-butylsulfanyl-6-chloro-5-ethylpyrimidine

C10H15ClN2S — CID 63732711

IUPAC4-butylsulfanyl-6-chloro-5-ethylpyrimidine
SMILESCCCCSc1ncnc(Cl)c1CC
InChIInChI=1S/C10H15ClN2S/c1-3-5-6-14-10-8(4-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3
InChIKeyNNXGWXKASVNSTK-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.58
Rot. Bonds5

About 4-butylsulfanyl-6-chloro-5-ethylpyrimidine

4-butylsulfanyl-6-chloro-5-ethylpyrimidine (PubChem CID 63732711) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-butylsulfanyl-6-chloro-5-ethylpyrimidine.

Molecular Properties

Compound Name4-butylsulfanyl-6-chloro-5-ethylpyrimidine
PubChem CID63732711
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-butylsulfanyl-6-chloro-5-ethylpyrimidine
SMILESCCCCSc1ncnc(Cl)c1CC
InChIInChI=1S/C10H15ClN2S/c1-3-5-6-14-10-8(4-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3
InChIKeyNNXGWXKASVNSTK-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butylsulfanyl-6-chloro-5-propan-2-ylpyrimidine
CID 63732708
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107770980
4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031
4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine
CID 63728559
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
3-butylsulfanyl-4-chloro-1,2,5-thiadiazole
CID 11052875
4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
CID 63732482
2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 63732079
4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 63730609
6-dodecylsulfanyl-7H-purine
CID 3778984

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-6-chloro-5-ethylpyrimidine?
The IUPAC name of 4-butylsulfanyl-6-chloro-5-ethylpyrimidine (CID 63732711) is 4-butylsulfanyl-6-chloro-5-ethylpyrimidine.
What is the SMILES notation for 4-butylsulfanyl-6-chloro-5-ethylpyrimidine?
The canonical SMILES for 4-butylsulfanyl-6-chloro-5-ethylpyrimidine is CCCCSc1ncnc(Cl)c1CC.
What is the InChIKey of 4-butylsulfanyl-6-chloro-5-ethylpyrimidine?
The InChIKey is NNXGWXKASVNSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-3-5-6-14-10-8(4-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3.
What are the key properties of 4-butylsulfanyl-6-chloro-5-ethylpyrimidine?
4-butylsulfanyl-6-chloro-5-ethylpyrimidine has a molecular weight of 230.76 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-6-chloro-5-ethylpyrimidine is sourced from PubChem (CID 63732711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).