5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C19H19N3O2 — CID 3234568

IUPAC5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccccc1OC
InChIInChI=1S/C19H19N3O2/c1-23-17-9-5-3-7-14(17)11-21-19-16(12-20-13-22-19)15-8-4-6-10-18(15)24-2/h3-10,12-13H,11H2,1-2H3,(H,20,21,22)
InChIKeyOBNPZRQLKZCNFK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.77
Rot. Bonds6

About 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3234568) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3234568
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccccc1OC
InChIInChI=1S/C19H19N3O2/c1-23-17-9-5-3-7-14(17)11-21-19-16(12-20-13-22-19)15-8-4-6-10-18(15)24-2/h3-10,12-13H,11H2,1-2H3,(H,20,21,22)
InChIKeyOBNPZRQLKZCNFK-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 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3234568) is 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ncncc1-c1ccccc1OC.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is OBNPZRQLKZCNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-17-9-5-3-7-14(17)11-21-19-16(12-20-13-22-19)15-8-4-6-10-18(15)24-2/h3-10,12-13H,11H2,1-2H3,(H,20,21,22).
What are the key properties of 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
5-(2-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 5-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3234568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).