4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine

C17H15N3O — CID 127040432

IUPAC4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H15N3O/c1-13-11-14(12-21-15-7-3-2-4-8-15)20-17(19-13)16-9-5-6-10-18-16/h2-11H,12H2,1H3
InChIKeyNNGBJKIVAFFVSY-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.43
Rot. Bonds4

About 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine

4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine (PubChem CID 127040432) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine
PubChem CID127040432
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H15N3O/c1-13-11-14(12-21-15-7-3-2-4-8-15)20-17(19-13)16-9-5-6-10-18-16/h2-11H,12H2,1H3
InChIKeyNNGBJKIVAFFVSY-UHFFFAOYSA-N
XLogP3.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine
CID 44341428
Bisanilinopyrimidine, 6f
CID 70702137
4-(1-Phenoxyethyl)pyrimidin-2-amine
CID 4364907
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
4-(4-Chlorophenoxy)-6-methyl-2-(2-pyridyl)pyrimidine
CID 2725932
Methyl 2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetate
CID 2767825
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-(4-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475725
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine (CID 127040432) is 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine is Cc1cc(COc2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine?
The InChIKey is NNGBJKIVAFFVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-11-14(12-21-15-7-3-2-4-8-15)20-17(19-13)16-9-5-6-10-18-16/h2-11H,12H2,1H3.
What are the key properties of 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine?
4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine has a molecular weight of 277.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(phenoxymethyl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127040432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).