2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

C22H21Cl2N5O2 — CID 53047913

IUPAC2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H21Cl2N5O2/c1-14-12-20(28-22(25-14)29-8-10-31-11-9-29)26-16-3-5-17(6-4-16)27-21(30)18-7-2-15(23)13-19(18)24/h2-7,12-13H,8-11H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyIUXKKMQWHKXWLU-UHFFFAOYSA-N
MW458.35 g/mol
LogP4.92
Rot. Bonds5

About 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 53047913) has the molecular formula C22H21Cl2N5O2 and a molecular weight of 458.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID53047913
Molecular FormulaC22H21Cl2N5O2
Molecular Weight458.35 g/mol
Exact Mass457.11
IUPAC Name2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H21Cl2N5O2/c1-14-12-20(28-22(25-14)29-8-10-31-11-9-29)26-16-3-5-17(6-4-16)27-21(30)18-7-2-15(23)13-19(18)24/h2-7,12-13H,8-11H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyIUXKKMQWHKXWLU-UHFFFAOYSA-N
XLogP4.92
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122326153
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53047921
4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326059
2,4-dichloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090464
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
CID 122326128
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912329
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 53047913) is 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is IUXKKMQWHKXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O2/c1-14-12-20(28-22(25-14)29-8-10-31-11-9-29)26-16-3-5-17(6-4-16)27-21(30)18-7-2-15(23)13-19(18)24/h2-7,12-13H,8-11H2,1H3,(H,27,30)(H,25,26,28).
What are the key properties of 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 458.35 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 53047913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).