2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C20H21N3O3 — CID 53326808

IUPAC2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(-c3cccc(OC)c3)nc(OC)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-24-16-9-7-14(8-10-16)13-21-19-12-18(22-20(23-19)26-3)15-5-4-6-17(11-15)25-2/h4-12H,13H2,1-3H3,(H,21,22,23)
InChIKeyHARSJXFCKXJFOF-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.78
Rot. Bonds7

About 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 53326808) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID53326808
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(-c3cccc(OC)c3)nc(OC)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-24-16-9-7-14(8-10-16)13-21-19-12-18(22-20(23-19)26-3)15-5-4-6-17(11-15)25-2/h4-12H,13H2,1-3H3,(H,21,22,23)
InChIKeyHARSJXFCKXJFOF-UHFFFAOYSA-N
XLogP3.78
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 53326808) is 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2cc(-c3cccc(OC)c3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is HARSJXFCKXJFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-24-16-9-7-14(8-10-16)13-21-19-12-18(22-20(23-19)26-3)15-5-4-6-17(11-15)25-2/h4-12H,13H2,1-3H3,(H,21,22,23).
What are the key properties of 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 53326808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).