4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine

C17H15N3O — CID 177437339

IUPAC4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
SMILESCOc1ccc(-c2cc(-c3cccnc3)nc(C)n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-19-16(13-5-7-15(21-2)8-6-13)10-17(20-12)14-4-3-9-18-11-14/h3-11H,1-2H3
InChIKeyLSQRDPMULSDADI-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.52
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine

4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine (PubChem CID 177437339) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
PubChem CID177437339
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
SMILESCOc1ccc(-c2cc(-c3cccnc3)nc(C)n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-19-16(13-5-7-15(21-2)8-6-13)10-17(20-12)14-4-3-9-18-11-14/h3-11H,1-2H3
InChIKeyLSQRDPMULSDADI-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
4-(3,5-diphenylphenyl)-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4,6-dipyridin-4-ylpyrimidine;2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-pyridin-4-ylpyrimidine;2-methyl-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 159471175
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
CID 90118273
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine
CID 142908651
2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine
CID 138038750
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
CID 630923
4-dibenzothiophen-3-yl-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155603301

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine (CID 177437339) is 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine is COc1ccc(-c2cc(-c3cccnc3)nc(C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine?
The InChIKey is LSQRDPMULSDADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-19-16(13-5-7-15(21-2)8-6-13)10-17(20-12)14-4-3-9-18-11-14/h3-11H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine?
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine has a molecular weight of 277.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 177437339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).