2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide

C15H18N4O2 — CID 81394291

IUPAC2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H18N4O2/c1-4-21-12-7-5-6-11(16)13(12)14(20)19-15-17-9(2)8-10(3)18-15/h5-8H,4,16H2,1-3H3,(H,17,18,19,20)
InChIKeyJLMPAPLNEASTEF-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.33
Rot. Bonds4

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

2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide (PubChem CID 81394291) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
PubChem CID81394291
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H18N4O2/c1-4-21-12-7-5-6-11(16)13(12)14(20)19-15-17-9(2)8-10(3)18-15/h5-8H,4,16H2,1-3H3,(H,17,18,19,20)
InChIKeyJLMPAPLNEASTEF-UHFFFAOYSA-N
XLogP2.33
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.33
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-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
CID 81420752
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide (CID 81394291) is 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide?
The InChIKey is JLMPAPLNEASTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-21-12-7-5-6-11(16)13(12)14(20)19-15-17-9(2)8-10(3)18-15/h5-8H,4,16H2,1-3H3,(H,17,18,19,20).
What are the key properties of 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide?
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide has a molecular weight of 286.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide is sourced from PubChem (CID 81394291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).