4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine

C18H17N3O3S — CID 127037664

IUPAC4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2cccc(S(C)(=O)=O)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N3O3S/c1-13-10-14(21-18(20-13)17-8-3-4-9-19-17)12-24-15-6-5-7-16(11-15)25(2,22)23/h3-11H,12H2,1-2H3
InChIKeyJEQCWLDWOMUSLS-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.83
Rot. Bonds5

About 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine

4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine (PubChem CID 127037664) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine
PubChem CID127037664
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2cccc(S(C)(=O)=O)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N3O3S/c1-13-10-14(21-18(20-13)17-8-3-4-9-19-17)12-24-15-6-5-7-16(11-15)25(2,22)23/h3-11H,12H2,1-2H3
InChIKeyJEQCWLDWOMUSLS-UHFFFAOYSA-N
XLogP2.83
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine (CID 127037664) is 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine is Cc1cc(COc2cccc(S(C)(=O)=O)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is JEQCWLDWOMUSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-10-14(21-18(20-13)17-8-3-4-9-19-17)12-24-15-6-5-7-16(11-15)25(2,22)23/h3-11H,12H2,1-2H3.
What are the key properties of 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine?
4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 355.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3-methylsulfonylphenoxy)methyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127037664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).