2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine

C10H15ClN2O2S — CID 66105799

IUPAC2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(S(=O)(=O)CC(C)CCl)n1
InChIInChI=1S/C10H15ClN2O2S/c1-7(5-11)6-16(14,15)10-12-8(2)4-9(3)13-10/h4,7H,5-6H2,1-3H3
InChIKeyIHIMEAHOPDQJAW-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.74
Rot. Bonds4

About 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine

2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine (PubChem CID 66105799) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine
PubChem CID66105799
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(S(=O)(=O)CC(C)CCl)n1
InChIInChI=1S/C10H15ClN2O2S/c1-7(5-11)6-16(14,15)10-12-8(2)4-9(3)13-10/h4,7H,5-6H2,1-3H3
InChIKeyIHIMEAHOPDQJAW-UHFFFAOYSA-N
XLogP1.74
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine (CID 66105799) is 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine is Cc1cc(C)nc(S(=O)(=O)CC(C)CCl)n1.
What is the InChIKey of 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine?
The InChIKey is IHIMEAHOPDQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-7(5-11)6-16(14,15)10-12-8(2)4-9(3)13-10/h4,7H,5-6H2,1-3H3.
What are the key properties of 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine?
2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine has a molecular weight of 262.76 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 66105799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).