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

C25H22N4O — CID 53108687

IUPACN-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C25H22N4O/c30-24(26-15-19-7-3-1-4-8-19)22-13-11-21(12-14-22)23-17-28-25(29-18-23)27-16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2,(H,26,30)(H,27,28,29)
InChIKeyZWSXSFXYAJPDAS-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.69
Rot. Bonds7

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

N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide (PubChem CID 53108687) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
PubChem CID53108687
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C25H22N4O/c30-24(26-15-19-7-3-1-4-8-19)22-13-11-21(12-14-22)23-17-28-25(29-18-23)27-16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2,(H,26,30)(H,27,28,29)
InChIKeyZWSXSFXYAJPDAS-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 53108683
2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 72860213
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
CID 53108676
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
CID 53108666
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide (CID 53108687) is N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide is O=C(NCc1ccccc1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1.
What is the InChIKey of N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide?
The InChIKey is ZWSXSFXYAJPDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-24(26-15-19-7-3-1-4-8-19)22-13-11-21(12-14-22)23-17-28-25(29-18-23)27-16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2,(H,26,30)(H,27,28,29).
What are the key properties of N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide?
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53108687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).