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

C13H14N4O2 — CID 61093521

IUPAC3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ncccn2)cc1N
InChIInChI=1S/C13H14N4O2/c1-2-19-11-5-4-9(8-10(11)14)12(18)17-13-15-6-3-7-16-13/h3-8H,2,14H2,1H3,(H,15,16,17,18)
InChIKeyUOMGHXWMVOTLPY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.71
Rot. Bonds4

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

3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide (PubChem CID 61093521) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
PubChem CID61093521
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ncccn2)cc1N
InChIInChI=1S/C13H14N4O2/c1-2-19-11-5-4-9(8-10(11)14)12(18)17-13-15-6-3-7-16-13/h3-8H,2,14H2,1H3,(H,15,16,17,18)
InChIKeyUOMGHXWMVOTLPY-UHFFFAOYSA-N
XLogP1.71
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-ethoxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114386749
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
CID 61466319
3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616291
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide
CID 110499911
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide (CID 61093521) is 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide is CCOc1ccc(C(=O)Nc2ncccn2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide?
The InChIKey is UOMGHXWMVOTLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-19-11-5-4-9(8-10(11)14)12(18)17-13-15-6-3-7-16-13/h3-8H,2,14H2,1H3,(H,15,16,17,18).
What are the key properties of 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide?
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide has a molecular weight of 258.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 61093521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).