2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide

C20H25Cl2N5O2 — CID 23026750

IUPAC2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCNc1nc(NC2CCC(NC(=O)COc3cccc(Cl)c3Cl)CC2)ncc1C
InChIInChI=1S/C20H25Cl2N5O2/c1-12-10-24-20(27-19(12)23-2)26-14-8-6-13(7-9-14)25-17(28)11-29-16-5-3-4-15(21)18(16)22/h3-5,10,13-14H,6-9,11H2,1-2H3,(H,25,28)(H2,23,24,26,27)
InChIKeyZYQQCAIFZPNILZ-UHFFFAOYSA-N
MW438.36 g/mol
LogP4.05
Rot. Bonds7

About 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide

2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 23026750) has the molecular formula C20H25Cl2N5O2 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID23026750
Molecular FormulaC20H25Cl2N5O2
Molecular Weight438.36 g/mol
Exact Mass437.14
IUPAC Name2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCNc1nc(NC2CCC(NC(=O)COc3cccc(Cl)c3Cl)CC2)ncc1C
InChIInChI=1S/C20H25Cl2N5O2/c1-12-10-24-20(27-19(12)23-2)26-14-8-6-13(7-9-14)25-17(28)11-29-16-5-3-4-15(21)18(16)22/h3-5,10,13-14H,6-9,11H2,1-2H3,(H,25,28)(H2,23,24,26,27)
InChIKeyZYQQCAIFZPNILZ-UHFFFAOYSA-N
XLogP4.05
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 154754030
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
N-cyclopropyl-2-(2-methylquinolin-8-yl)oxyacetamide
CID 40512032
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
2-(4-chlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23027623
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 23026750) is 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide is CNc1nc(NC2CCC(NC(=O)COc3cccc(Cl)c3Cl)CC2)ncc1C.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is ZYQQCAIFZPNILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O2/c1-12-10-24-20(27-19(12)23-2)26-14-8-6-13(7-9-14)25-17(28)11-29-16-5-3-4-15(21)18(16)22/h3-5,10,13-14H,6-9,11H2,1-2H3,(H,25,28)(H2,23,24,26,27).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 438.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 23026750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).