4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide

C26H24N4O2 — CID 53108666

IUPAC4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C26H24N4O2/c1-2-32-24-11-7-6-10-23(24)30-25(31)21-14-12-20(13-15-21)22-17-28-26(29-18-22)27-16-19-8-4-3-5-9-19/h3-15,17-18H,2,16H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyPLLKXDLKEBADJF-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.41
Rot. Bonds8

About 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide

4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide (PubChem CID 53108666) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
PubChem CID53108666
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C26H24N4O2/c1-2-32-24-11-7-6-10-23(24)30-25(31)21-14-12-20(13-15-21)22-17-28-26(29-18-22)27-16-19-8-4-3-5-9-19/h3-15,17-18H,2,16H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyPLLKXDLKEBADJF-UHFFFAOYSA-N
XLogP5.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
CID 53108676
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
N-(2-ethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191680
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide (CID 53108666) is 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1.
What is the InChIKey of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide?
The InChIKey is PLLKXDLKEBADJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-2-32-24-11-7-6-10-23(24)30-25(31)21-14-12-20(13-15-21)22-17-28-26(29-18-22)27-16-19-8-4-3-5-9-19/h3-15,17-18H,2,16H2,1H3,(H,30,31)(H,27,28,29).
What are the key properties of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide?
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide has a molecular weight of 424.50 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 53108666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).