2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide

C16H19Cl2N5O — CID 121074568

IUPAC2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
SMILESCCNc1cc(NCCNC(=O)c2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C16H19Cl2N5O/c1-3-19-14-9-15(23-10(2)22-14)20-6-7-21-16(24)12-5-4-11(17)8-13(12)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,21,24)(H2,19,20,22,23)
InChIKeySMRUTNOABIQOQM-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.37
Rot. Bonds7

About 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide

2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide (PubChem CID 121074568) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
PubChem CID121074568
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
SMILESCCNc1cc(NCCNC(=O)c2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C16H19Cl2N5O/c1-3-19-14-9-15(23-10(2)22-14)20-6-7-21-16(24)12-5-4-11(17)8-13(12)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,21,24)(H2,19,20,22,23)
InChIKeySMRUTNOABIQOQM-UHFFFAOYSA-N
XLogP3.37
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide 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

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122293406
2,4-dichloro-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315358
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-iodobenzamide
CID 121074596
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-difluorobenzamide
CID 122293306
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
1-(3-chloro-4-methylphenyl)-3-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]urea
CID 121074936
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 45497028
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
CID 56805454
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide
CID 122293470

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide (CID 121074568) is 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide is CCNc1cc(NCCNC(=O)c2ccc(Cl)cc2Cl)nc(C)n1.
What is the InChIKey of 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The InChIKey is SMRUTNOABIQOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-3-19-14-9-15(23-10(2)22-14)20-6-7-21-16(24)12-5-4-11(17)8-13(12)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,21,24)(H2,19,20,22,23).
What are the key properties of 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide has a molecular weight of 368.27 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 121074568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).