4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide

C14H16N4O2 — CID 104782353

IUPAC4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cc(C)n2)ccc1N
InChIInChI=1S/C14H16N4O2/c1-8-6-9(2)17-14(16-8)18-13(19)10-4-5-11(15)12(7-10)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19)
InChIKeyRHOAVASQUPJBOU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide

4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide (PubChem CID 104782353) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
PubChem CID104782353
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cc(C)n2)ccc1N
InChIInChI=1S/C14H16N4O2/c1-8-6-9(2)17-14(16-8)18-13(19)10-4-5-11(15)12(7-10)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19)
InChIKeyRHOAVASQUPJBOU-UHFFFAOYSA-N
XLogP1.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
CID 63971187
4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide (CID 104782353) is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide is COc1cc(C(=O)Nc2nc(C)cc(C)n2)ccc1N.
What is the InChIKey of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide?
The InChIKey is RHOAVASQUPJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-6-9(2)17-14(16-8)18-13(19)10-4-5-11(15)12(7-10)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide?
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide has a molecular weight of 272.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 104782353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).