2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide

C20H20ClN5O — CID 44522261

IUPAC2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1
InChIInChI=1S/C20H20ClN5O/c1-3-22-18-12-13(2)23-20(26-18)25-15-10-8-14(9-11-15)24-19(27)16-6-4-5-7-17(16)21/h4-12H,3H2,1-2H3,(H,24,27)(H2,22,23,25,26)
InChIKeyMKOZYKZYSRRQMG-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.87
Rot. Bonds6

About 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide

2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide (PubChem CID 44522261) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
PubChem CID44522261
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1
InChIInChI=1S/C20H20ClN5O/c1-3-22-18-12-13(2)23-20(26-18)25-15-10-8-14(9-11-15)24-19(27)16-6-4-5-7-17(16)21/h4-12H,3H2,1-2H3,(H,24,27)(H2,22,23,25,26)
InChIKeyMKOZYKZYSRRQMG-UHFFFAOYSA-N
XLogP4.87
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]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-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 18566628
2,4-dichloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090464
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 18566630
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 121032199
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methoxybenzamide;2-methoxybenzamide
CID 154995677
1-(2-chlorophenyl)-3-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]urea
CID 53047962
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
CID 121032203
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 121032196
2-iodo-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090495
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
CID 122325626
N-[4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112915576

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide (CID 44522261) is 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide is CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1.
What is the InChIKey of 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The InChIKey is MKOZYKZYSRRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-3-22-18-12-13(2)23-20(26-18)25-15-10-8-14(9-11-15)24-19(27)16-6-4-5-7-17(16)21/h4-12H,3H2,1-2H3,(H,24,27)(H2,22,23,25,26).
What are the key properties of 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide has a molecular weight of 381.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 44522261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).