1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone

C24H25Cl2N5O2 — CID 59618508

IUPAC1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone
SMILESCc1cc(Nc2cc(CC(=O)c3c(Cl)cccc3Cl)ccn2)nc(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C24H25Cl2N5O2/c1-14-9-22(30-24(28-14)31-12-15(2)33-16(3)13-31)29-21-11-17(7-8-27-21)10-20(32)23-18(25)5-4-6-19(23)26/h4-9,11,15-16H,10,12-13H2,1-3H3,(H,27,28,29,30)
InChIKeyAOFWKCNUBFDAFV-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.27
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone

1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone (PubChem CID 59618508) has the molecular formula C24H25Cl2N5O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone
PubChem CID59618508
Molecular FormulaC24H25Cl2N5O2
Molecular Weight486.40 g/mol
Exact Mass485.14
IUPAC Name1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone
SMILESCc1cc(Nc2cc(CC(=O)c3c(Cl)cccc3Cl)ccn2)nc(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C24H25Cl2N5O2/c1-14-9-22(30-24(28-14)31-12-15(2)33-16(3)13-31)29-21-11-17(7-8-27-21)10-20(32)23-18(25)5-4-6-19(23)26/h4-9,11,15-16H,10,12-13H2,1-3H3,(H,27,28,29,30)
InChIKeyAOFWKCNUBFDAFV-UHFFFAOYSA-N
XLogP5.27
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-dichlorophenyl)-2-[2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethanone
CID 59618481
1-(2,6-dichlorophenyl)-2-[2-[[2-(2-hydroxypropylamino)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone
CID 59618533
2-[2-[[6-cyclopropyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-pyridinyl]-1-(2,6-dichlorophenyl)ethanone
CID 59618365
1-(2,6-dichlorophenyl)-2-[2-[[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]ethanone
CID 59618534
1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone
CID 59618013
2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68673464
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 95969720
2,6-dichloro-N-[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672392
1-(2,6-dichlorophenyl)-2-[2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]-4-pyridinyl]ethanone
CID 59618465
2,6-dichloro-N-[2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-4-pyridinyl]benzamide
CID 68673205
N-[2-[[2-(azetidin-1-yl)-6-ethylpyrimidin-4-yl]amino]-4-pyridinyl]-2,6-dichlorobenzamide
CID 68672700
2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 70823675

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone (CID 59618508) is 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone is Cc1cc(Nc2cc(CC(=O)c3c(Cl)cccc3Cl)ccn2)nc(N2CC(C)OC(C)C2)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
The InChIKey is AOFWKCNUBFDAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2/c1-14-9-22(30-24(28-14)31-12-15(2)33-16(3)13-31)29-21-11-17(7-8-27-21)10-20(32)23-18(25)5-4-6-19(23)26/h4-9,11,15-16H,10,12-13H2,1-3H3,(H,27,28,29,30).
What are the key properties of 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone has a molecular weight of 486.40 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone is sourced from PubChem (CID 59618508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).