2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C20H21N3O2 — CID 117084765

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ccnc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-17-7-3-15(4-8-17)11-13-21-19-12-14-22-20(23-19)16-5-9-18(25-2)10-6-16/h3-10,12,14H,11,13H2,1-2H3,(H,21,22,23)
InChIKeyQJUNUSPNHSKUAO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.82
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 117084765) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID117084765
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ccnc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-17-7-3-15(4-8-17)11-13-21-19-12-14-22-20(23-19)16-5-9-18(25-2)10-6-16/h3-10,12,14H,11,13H2,1-2H3,(H,21,22,23)
InChIKeyQJUNUSPNHSKUAO-UHFFFAOYSA-N
XLogP3.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
CID 117094557
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117086841
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895350
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
CID 24704732
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
2-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112895391
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 117084765) is 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccc(CCNc2ccnc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is QJUNUSPNHSKUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-17-7-3-15(4-8-17)11-13-21-19-12-14-22-20(23-19)16-5-9-18(25-2)10-6-16/h3-10,12,14H,11,13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 117084765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).