4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine

C17H15N3O — CID 14458737

IUPAC4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
SMILESCc1cccc(Oc2cccc(-c3nccc(C)n3)n2)c1
InChIInChI=1S/C17H15N3O/c1-12-5-3-6-14(11-12)21-16-8-4-7-15(20-16)17-18-10-9-13(2)19-17/h3-11H,1-2H3
InChIKeyNYRCTDCSMMZLOK-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.95
Rot. Bonds3

About 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine

4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine (PubChem CID 14458737) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
PubChem CID14458737
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
SMILESCc1cccc(Oc2cccc(-c3nccc(C)n3)n2)c1
InChIInChI=1S/C17H15N3O/c1-12-5-3-6-14(11-12)21-16-8-4-7-15(20-16)17-18-10-9-13(2)19-17/h3-11H,1-2H3
InChIKeyNYRCTDCSMMZLOK-UHFFFAOYSA-N
XLogP3.95
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458740
2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458730
4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
CID 14458745
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749
6-(3-methylphenoxy)pyridin-2-amine
CID 80653068
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
2-(3-methylphenoxy)pyrimidine
CID 20603792
2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine
CID 140597832
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine?
The IUPAC name of 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine (CID 14458737) is 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine is Cc1cccc(Oc2cccc(-c3nccc(C)n3)n2)c1.
What is the InChIKey of 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine?
The InChIKey is NYRCTDCSMMZLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-5-3-6-14(11-12)21-16-8-4-7-15(20-16)17-18-10-9-13(2)19-17/h3-11H,1-2H3.
What are the key properties of 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine?
4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine has a molecular weight of 277.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 14458737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).