2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole

C21H19N3O — CID 155679290

IUPAC2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole
SMILESCOc1cccc(Cc2cc3cc(C)ccc3n2-c2ncccn2)c1
InChIInChI=1S/C21H19N3O/c1-15-7-8-20-17(11-15)14-18(24(20)21-22-9-4-10-23-21)12-16-5-3-6-19(13-16)25-2/h3-11,13-14H,12H2,1-2H3
InChIKeyIYLZPRQPELRLNK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.33
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole

2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole (PubChem CID 155679290) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole
PubChem CID155679290
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole
SMILESCOc1cccc(Cc2cc3cc(C)ccc3n2-c2ncccn2)c1
InChIInChI=1S/C21H19N3O/c1-15-7-8-20-17(11-15)14-18(24(20)21-22-9-4-10-23-21)12-16-5-3-6-19(13-16)25-2/h3-11,13-14H,12H2,1-2H3
InChIKeyIYLZPRQPELRLNK-UHFFFAOYSA-N
XLogP4.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-prop-2-enyl-1-pyrimidin-2-ylindole
CID 122209129
2-ethenyl-5-methyl-1-pyrimidin-2-ylindole
CID 155679286
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
CID 117185409
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165060
3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165077
1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 107853170
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole
CID 143683886
(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
CID 18958181
7-methoxy-3-[(3-methoxyphenyl)methyl]imidazo[1,5-a]pyridine
CID 117143075

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole (CID 155679290) is 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole is COc1cccc(Cc2cc3cc(C)ccc3n2-c2ncccn2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole?
The InChIKey is IYLZPRQPELRLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-7-8-20-17(11-15)14-18(24(20)21-22-9-4-10-23-21)12-16-5-3-6-19(13-16)25-2/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole?
2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole has a molecular weight of 329.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-5-methyl-1-pyrimidin-2-ylindole is sourced from PubChem (CID 155679290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).