2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

C14H16N4O — CID 61138716

IUPAC2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)Cc2ccccc2N)n1
InChIInChI=1S/C14H16N4O/c1-10-16-7-6-12(18-10)9-17-14(19)8-11-4-2-3-5-13(11)15/h2-7H,8-9,15H2,1H3,(H,17,19)
InChIKeyGVOQKZGFVJJYHN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.23
Rot. Bonds4

About 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 61138716) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID61138716
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)Cc2ccccc2N)n1
InChIInChI=1S/C14H16N4O/c1-10-16-7-6-12(18-10)9-17-14(19)8-11-4-2-3-5-13(11)15/h2-7H,8-9,15H2,1H3,(H,17,19)
InChIKeyGVOQKZGFVJJYHN-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-methylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzoic acid
CID 115923726
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 61016398
3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119742337
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 79474047

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (CID 61138716) is 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is Cc1nccc(CNC(=O)Cc2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is GVOQKZGFVJJYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-16-7-6-12(18-10)9-17-14(19)8-11-4-2-3-5-13(11)15/h2-7H,8-9,15H2,1H3,(H,17,19).
What are the key properties of 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 61138716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).