2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide

C14H16N4O2 — CID 107600198

IUPAC2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
SMILESCOc1cc(C)nc(NC(=O)Cc2ccc(N)cc2)n1
InChIInChI=1S/C14H16N4O2/c1-9-7-13(20-2)18-14(16-9)17-12(19)8-10-3-5-11(15)6-4-10/h3-7H,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyLSCGRYWNUHRAIM-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide

2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide (PubChem CID 107600198) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
PubChem CID107600198
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
SMILESCOc1cc(C)nc(NC(=O)Cc2ccc(N)cc2)n1
InChIInChI=1S/C14H16N4O2/c1-9-7-13(20-2)18-14(16-9)17-12(19)8-10-3-5-11(15)6-4-10/h3-7H,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyLSCGRYWNUHRAIM-UHFFFAOYSA-N
XLogP1.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-oxo-1-pyridinyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107605355
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
CID 107600194
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
CID 107600110
N-(4-amino-2,6-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 79993432
2-(4-aminophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 110472728
5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
CID 107605341
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide (CID 107600198) is 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide is COc1cc(C)nc(NC(=O)Cc2ccc(N)cc2)n1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide?
The InChIKey is LSCGRYWNUHRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-7-13(20-2)18-14(16-9)17-12(19)8-10-3-5-11(15)6-4-10/h3-7H,8,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide?
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 107600198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).