5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine

C12H12N2O4S — CID 101004431

IUPAC5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine
SMILESCOc1cnc(S(C)(=O)=O)nc1Oc1ccccc1
InChIInChI=1S/C12H12N2O4S/c1-17-10-8-13-12(19(2,15)16)14-11(10)18-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyYGQQWTUIEVWGBE-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.68
Rot. Bonds4

About 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine

5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine (PubChem CID 101004431) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine.

Molecular Properties

Compound Name5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine
PubChem CID101004431
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine
SMILESCOc1cnc(S(C)(=O)=O)nc1Oc1ccccc1
InChIInChI=1S/C12H12N2O4S/c1-17-10-8-13-12(19(2,15)16)14-11(10)18-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyYGQQWTUIEVWGBE-UHFFFAOYSA-N
XLogP1.68
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
4-(2-fluorophenoxy)-2-methylsulfonylpyrimidine-5-carboxylic acid
CID 22674281
anisole;methanesulfonyl chloride
CID 162217178
5-bromo-2-methoxy-3-phenoxypyridine
CID 165374137
2-methyl-4-phenoxypyrimidine-5-sulfonic acid
CID 151734300
4-chloro-2-methylsulfonyl-5-phenylpyrimidine
CID 24903705
7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine
CID 66712321
3-methoxy-4-methyl-5-phenoxypyridine-2-carboxamide
CID 175581561
3-amino-N-[5-(2-methoxyphenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393218
6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 131865944
4-methoxy-2-phenoxypyrimidin-5-amine
CID 153312423
5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine?
The IUPAC name of 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine (CID 101004431) is 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine.
What is the SMILES notation for 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine?
The canonical SMILES for 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine is COc1cnc(S(C)(=O)=O)nc1Oc1ccccc1.
What is the InChIKey of 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine?
The InChIKey is YGQQWTUIEVWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-17-10-8-13-12(19(2,15)16)14-11(10)18-9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine?
5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine has a molecular weight of 280.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine is sourced from PubChem (CID 101004431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).