2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide

C14H16N4O2 — CID 107600113

IUPAC2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(C)ccc2N)n1
InChIInChI=1S/C14H16N4O2/c1-8-4-5-11(15)10(6-8)13(19)18-14-16-9(2)7-12(17-14)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19)
InChIKeyCKFJFGPPHXFLGD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide

2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide (PubChem CID 107600113) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
PubChem CID107600113
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(C)ccc2N)n1
InChIInChI=1S/C14H16N4O2/c1-8-4-5-11(15)10(6-8)13(19)18-14-16-9(2)7-12(17-14)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19)
InChIKeyCKFJFGPPHXFLGD-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

2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624336
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
CID 107605341
2-hydroxy-5-methoxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600817
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide (CID 107600113) is 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide is COc1cc(C)nc(NC(=O)c2cc(C)ccc2N)n1.
What is the InChIKey of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide?
The InChIKey is CKFJFGPPHXFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-4-5-11(15)10(6-8)13(19)18-14-16-9(2)7-12(17-14)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide?
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide 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 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide is sourced from PubChem (CID 107600113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).