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

C20H21N3O3 — CID 3233271

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3ccc(OC)cc3OC)n2)c1
InChIInChI=1S/C20H21N3O3/c1-24-16-6-4-5-14(11-16)20-21-10-9-19(23-20)22-13-15-7-8-17(25-2)12-18(15)26-3/h4-12H,13H2,1-3H3,(H,21,22,23)
InChIKeyRULIAUGJMVIUMH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.78
Rot. Bonds7

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

N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3233271) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID3233271
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3ccc(OC)cc3OC)n2)c1
InChIInChI=1S/C20H21N3O3/c1-24-16-6-4-5-14(11-16)20-21-10-9-19(23-20)22-13-15-7-8-17(25-2)12-18(15)26-3/h4-12H,13H2,1-3H3,(H,21,22,23)
InChIKeyRULIAUGJMVIUMH-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 N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine (CID 3233271) is N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2nccc(NCc3ccc(OC)cc3OC)n2)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is RULIAUGJMVIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-24-16-6-4-5-14(11-16)20-21-10-9-19(23-20)22-13-15-7-8-17(25-2)12-18(15)26-3/h4-12H,13H2,1-3H3,(H,21,22,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)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 N-[(2,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3233271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).