3-amino-4-methyl-N-pyrimidin-2-ylbenzamide

C12H12N4O — CID 24691828

IUPAC3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ncccn2)cc1N
InChIInChI=1S/C12H12N4O/c1-8-3-4-9(7-10(8)13)11(17)16-12-14-5-2-6-15-12/h2-7H,13H2,1H3,(H,14,15,16,17)
InChIKeyHLZWAQLFRJSWOG-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide

3-amino-4-methyl-N-pyrimidin-2-ylbenzamide (PubChem CID 24691828) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
PubChem CID24691828
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ncccn2)cc1N
InChIInChI=1S/C12H12N4O/c1-8-3-4-9(7-10(8)13)11(17)16-12-14-5-2-6-15-12/h2-7H,13H2,1H3,(H,14,15,16,17)
InChIKeyHLZWAQLFRJSWOG-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide
CID 141026180
4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 21109041
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide (CID 24691828) is 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide is Cc1ccc(C(=O)Nc2ncccn2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is HLZWAQLFRJSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-3-4-9(7-10(8)13)11(17)16-12-14-5-2-6-15-12/h2-7H,13H2,1H3,(H,14,15,16,17).
What are the key properties of 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide?
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 228.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 24691828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).