[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium

C17H22N5O2+ — CID 3256160

IUPAC[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium
SMILESCCOc1ccccc1NC(NC(C)=O)=[NH+]c1nc(C)cc(C)n1
InChIInChI=1S/C17H21N5O2/c1-5-24-15-9-7-6-8-14(15)21-17(20-13(4)23)22-16-18-11(2)10-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23)/p+1
InChIKeyQTYCBKHVAWOSJP-UHFFFAOYSA-O
MW328.40 g/mol
LogP0.81
Rot. Bonds4

About [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium

[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium (PubChem CID 3256160) has the molecular formula C17H22N5O2+ and a molecular weight of 328.40 g/mol. Its IUPAC name is [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium.

Molecular Properties

Compound Name[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium
PubChem CID3256160
Molecular FormulaC17H22N5O2+
Molecular Weight328.40 g/mol
Exact Mass328.18
IUPAC Name[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium
SMILESCCOc1ccccc1NC(NC(C)=O)=[NH+]c1nc(C)cc(C)n1
InChIInChI=1S/C17H21N5O2/c1-5-24-15-9-7-6-8-14(15)21-17(20-13(4)23)22-16-18-11(2)10-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23)/p+1
InChIKeyQTYCBKHVAWOSJP-UHFFFAOYSA-O
XLogP0.81
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium 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

1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide
CID 135992391
N-(2-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704676
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070
CID 174193763
CID 174193763
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 41136561
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690

Frequently Asked Questions

What is the IUPAC name of [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium?
The IUPAC name of [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium (CID 3256160) is [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium.
What is the SMILES notation for [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium?
The canonical SMILES for [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium is CCOc1ccccc1NC(NC(C)=O)=[NH+]c1nc(C)cc(C)n1.
What is the InChIKey of [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium?
The InChIKey is QTYCBKHVAWOSJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N5O2/c1-5-24-15-9-7-6-8-14(15)21-17(20-13(4)23)22-16-18-11(2)10-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23)/p+1.
What are the key properties of [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium?
[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium has a molecular weight of 328.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium is sourced from PubChem (CID 3256160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).