2-chloro-4-methoxy-5-methylsulfonylpyrimidine

C6H7ClN2O3S — CID 58333563

IUPAC2-chloro-4-methoxy-5-methylsulfonylpyrimidine
SMILESCOc1nc(Cl)ncc1S(C)(=O)=O
InChIInChI=1S/C6H7ClN2O3S/c1-12-5-4(13(2,10)11)3-8-6(7)9-5/h3H,1-2H3
InChIKeyHNXAFUVQBDMCAW-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.54
Rot. Bonds2

About 2-chloro-4-methoxy-5-methylsulfonylpyrimidine

2-chloro-4-methoxy-5-methylsulfonylpyrimidine (PubChem CID 58333563) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-methylsulfonylpyrimidine
PubChem CID58333563
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name2-chloro-4-methoxy-5-methylsulfonylpyrimidine
SMILESCOc1nc(Cl)ncc1S(C)(=O)=O
InChIInChI=1S/C6H7ClN2O3S/c1-12-5-4(13(2,10)11)3-8-6(7)9-5/h3H,1-2H3
InChIKeyHNXAFUVQBDMCAW-UHFFFAOYSA-N
XLogP0.54
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-methylsulfonylpyrimidine?
The IUPAC name of 2-chloro-4-methoxy-5-methylsulfonylpyrimidine (CID 58333563) is 2-chloro-4-methoxy-5-methylsulfonylpyrimidine.
What is the SMILES notation for 2-chloro-4-methoxy-5-methylsulfonylpyrimidine?
The canonical SMILES for 2-chloro-4-methoxy-5-methylsulfonylpyrimidine is COc1nc(Cl)ncc1S(C)(=O)=O.
What is the InChIKey of 2-chloro-4-methoxy-5-methylsulfonylpyrimidine?
The InChIKey is HNXAFUVQBDMCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S/c1-12-5-4(13(2,10)11)3-8-6(7)9-5/h3H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-5-methylsulfonylpyrimidine?
2-chloro-4-methoxy-5-methylsulfonylpyrimidine has a molecular weight of 222.65 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-methylsulfonylpyrimidine is sourced from PubChem (CID 58333563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).