2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine

C18H17N3O — CID 14458740

IUPAC2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccc(Oc2cccc(-c3nccc(C)n3)n2)c(C)c1
InChIInChI=1S/C18H17N3O/c1-12-7-8-16(13(2)11-12)22-17-6-4-5-15(21-17)18-19-10-9-14(3)20-18/h4-11H,1-3H3
InChIKeyNUNRUFOFVBVAQO-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.26
Rot. Bonds3

About 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine

2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine (PubChem CID 14458740) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
PubChem CID14458740
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccc(Oc2cccc(-c3nccc(C)n3)n2)c(C)c1
InChIInChI=1S/C18H17N3O/c1-12-7-8-16(13(2)11-12)22-17-6-4-5-15(21-17)18-19-10-9-14(3)20-18/h4-11H,1-3H3
InChIKeyNUNRUFOFVBVAQO-UHFFFAOYSA-N
XLogP4.26
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
CID 14458737
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749
2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458730
4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
CID 14458745
6-(2,4-dimethylphenoxy)-N-methylpyridin-2-amine
CID 80863130
2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine
CID 91472605
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
4-methyl-2-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]pyrimidine
CID 14281096
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877
4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
CID 14796154

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine?
The IUPAC name of 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine (CID 14458740) is 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine?
The canonical SMILES for 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine is Cc1ccc(Oc2cccc(-c3nccc(C)n3)n2)c(C)c1.
What is the InChIKey of 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine?
The InChIKey is NUNRUFOFVBVAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-7-8-16(13(2)11-12)22-17-6-4-5-15(21-17)18-19-10-9-14(3)20-18/h4-11H,1-3H3.
What are the key properties of 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine?
2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine has a molecular weight of 291.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine is sourced from PubChem (CID 14458740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).