2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C19H19N3O2 — CID 3232657

IUPAC2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3ccccc3OC)n2)c1
InChIInChI=1S/C19H19N3O2/c1-23-16-8-5-7-14(12-16)19-20-11-10-18(22-19)21-13-15-6-3-4-9-17(15)24-2/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyQIYJGDGJSIIILO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.77
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3232657) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3232657
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3ccccc3OC)n2)c1
InChIInChI=1S/C19H19N3O2/c1-23-16-8-5-7-14(12-16)19-20-11-10-18(22-19)21-13-15-6-3-4-9-17(15)24-2/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyQIYJGDGJSIIILO-UHFFFAOYSA-N
XLogP3.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3232657) is 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1cccc(-c2nccc(NCc3ccccc3OC)n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is QIYJGDGJSIIILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-16-8-5-7-14(12-16)19-20-11-10-18(22-19)21-13-15-6-3-4-9-17(15)24-2/h3-12H,13H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3232657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).