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

C17H14ClN3O — CID 127039708

IUPAC4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2cccc(Cl)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H14ClN3O/c1-12-9-14(11-22-15-6-4-5-13(18)10-15)21-17(20-12)16-7-2-3-8-19-16/h2-10H,11H2,1H3
InChIKeyJEMDHDBRGXERGG-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.08
Rot. Bonds4

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

4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 127039708) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID127039708
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2cccc(Cl)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H14ClN3O/c1-12-9-14(11-22-15-6-4-5-13(18)10-15)21-17(20-12)16-7-2-3-8-19-16/h2-10H,11H2,1H3
InChIKeyJEMDHDBRGXERGG-UHFFFAOYSA-N
XLogP4.08
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (CID 127039708) is 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is Cc1cc(COc2cccc(Cl)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is JEMDHDBRGXERGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12-9-14(11-22-15-6-4-5-13(18)10-15)21-17(20-12)16-7-2-3-8-19-16/h2-10H,11H2,1H3.
What are the key properties of 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 311.77 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127039708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).