4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide

C20H20N4O2 — CID 117094557

IUPAC4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
SMILESCOc1ccc(CCNc2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-8-2-14(3-9-17)10-12-22-18-11-13-23-20(24-18)16-6-4-15(5-7-16)19(21)25/h2-9,11,13H,10,12H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyYZEMDRZLIGAMNX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.91
Rot. Bonds7

About 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide

4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide (PubChem CID 117094557) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
PubChem CID117094557
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
SMILESCOc1ccc(CCNc2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-8-2-14(3-9-17)10-12-22-18-11-13-23-20(24-18)16-6-4-15(5-7-16)19(21)25/h2-9,11,13H,10,12H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyYZEMDRZLIGAMNX-UHFFFAOYSA-N
XLogP2.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
ethyl 4-[[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]benzoate
CID 112895443
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
CID 24704732
N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117086841
2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 117088936
4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide
CID 143652230
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086561
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide?
The IUPAC name of 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide (CID 117094557) is 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide is COc1ccc(CCNc2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide?
The InChIKey is YZEMDRZLIGAMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-8-2-14(3-9-17)10-12-22-18-11-13-23-20(24-18)16-6-4-15(5-7-16)19(21)25/h2-9,11,13H,10,12H2,1H3,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide?
4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 117094557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).