2-chloro-5-methyl-4-pentylsulfanylpyrimidine

C10H15ClN2S — CID 107751108

IUPAC2-chloro-5-methyl-4-pentylsulfanylpyrimidine
SMILESCCCCCSc1nc(Cl)ncc1C
InChIInChI=1S/C10H15ClN2S/c1-3-4-5-6-14-9-8(2)7-12-10(11)13-9/h7H,3-6H2,1-2H3
InChIKeyRHDLLGGOXVGTBS-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.72
Rot. Bonds5

About 2-chloro-5-methyl-4-pentylsulfanylpyrimidine

2-chloro-5-methyl-4-pentylsulfanylpyrimidine (PubChem CID 107751108) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-pentylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-pentylsulfanylpyrimidine
PubChem CID107751108
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-5-methyl-4-pentylsulfanylpyrimidine
SMILESCCCCCSc1nc(Cl)ncc1C
InChIInChI=1S/C10H15ClN2S/c1-3-4-5-6-14-9-8(2)7-12-10(11)13-9/h7H,3-6H2,1-2H3
InChIKeyRHDLLGGOXVGTBS-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-pentylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-pentylsulfanylpyrimidine (CID 107751108) is 2-chloro-5-methyl-4-pentylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-pentylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-pentylsulfanylpyrimidine is CCCCCSc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-4-pentylsulfanylpyrimidine?
The InChIKey is RHDLLGGOXVGTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-3-4-5-6-14-9-8(2)7-12-10(11)13-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-pentylsulfanylpyrimidine?
2-chloro-5-methyl-4-pentylsulfanylpyrimidine has a molecular weight of 230.76 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-pentylsulfanylpyrimidine is sourced from PubChem (CID 107751108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).