N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide

C19H19N5O2 — CID 22478730

IUPACN-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide
SMILESCOc1cc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)ncn1
InChIInChI=1S/C19H19N5O2/c1-26-18-10-17(22-12-23-18)21-11-13-6-8-14(9-7-13)19(25)24-16-5-3-2-4-15(16)20/h2-10,12H,11,20H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyUMUMICJAIKJENX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.93
Rot. Bonds6

About N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide (PubChem CID 22478730) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide
PubChem CID22478730
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide
SMILESCOc1cc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)ncn1
InChIInChI=1S/C19H19N5O2/c1-26-18-10-17(22-12-23-18)21-11-13-6-8-14(9-7-13)19(25)24-16-5-3-2-4-15(16)20/h2-10,12H,11,20H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyUMUMICJAIKJENX-UHFFFAOYSA-N
XLogP2.93
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-Methoxy-pyridin-2-ylamino)-piperidin-1-yl]-phenyl-methanone
CID 11426929
N-(2-aminophenyl)-4-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]benzamide
CID 20786069
N-(2-aminophenyl)-4-[[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 20786071
N-(2-aminophenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 22478664
N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide
CID 22478706
N-(2-aminophenyl)-4-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]benzamide
CID 22478790
[3-[6-[(4-Methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 118725469
4-Fluoro-N-{4-[(6-methoxypyrimidin-4-YL)sulfamoyl]phenyl}benzamide
CID 4417994
N-[5-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
CID 44454507
4-methoxy-2-(methylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
CID 44454538
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-oxo-3-(2-piperidin-1-ylethyl)quinazoline-7-carboxamide
CID 44523900
N-[6-(4-methoxyanilino)pyrimidin-4-yl]benzamide
CID 145990537

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide (CID 22478730) is N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide is COc1cc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)ncn1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide?
The InChIKey is UMUMICJAIKJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-18-10-17(22-12-23-18)21-11-13-6-8-14(9-7-13)19(25)24-16-5-3-2-4-15(16)20/h2-10,12H,11,20H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 22478730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).