1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone

C20H19Cl2N5O — CID 59618013

IUPAC1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone
SMILESCN(C)Cc1nccc(Nc2cc(CC(=O)c3c(Cl)cccc3Cl)ccn2)n1
InChIInChI=1S/C20H19Cl2N5O/c1-27(2)12-19-24-9-7-17(26-19)25-18-11-13(6-8-23-18)10-16(28)20-14(21)4-3-5-15(20)22/h3-9,11H,10,12H2,1-2H3,(H,23,24,25,26)
InChIKeyQRUNQRNPPDULQL-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.41
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone

1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone (PubChem CID 59618013) has the molecular formula C20H19Cl2N5O and a molecular weight of 416.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone
PubChem CID59618013
Molecular FormulaC20H19Cl2N5O
Molecular Weight416.31 g/mol
Exact Mass415.10
IUPAC Name1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone
SMILESCN(C)Cc1nccc(Nc2cc(CC(=O)c3c(Cl)cccc3Cl)ccn2)n1
InChIInChI=1S/C20H19Cl2N5O/c1-27(2)12-19-24-9-7-17(26-19)25-18-11-13(6-8-23-18)10-16(28)20-14(21)4-3-5-15(20)22/h3-9,11H,10,12H2,1-2H3,(H,23,24,25,26)
InChIKeyQRUNQRNPPDULQL-UHFFFAOYSA-N
XLogP4.41
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone
CID 59618508
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-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]-4-pyridinyl]ethanone
CID 59618465
1-(2,6-dichlorophenyl)-2-[2-[[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]ethanone
CID 59618534
2,6-dichloro-N-[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672392
2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672269
2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089264
2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618575
2,6-dichloro-N-[2-[[5-(dimethylamino)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618178
methyl 6-[[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 59617969

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone (CID 59618013) is 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone is CN(C)Cc1nccc(Nc2cc(CC(=O)c3c(Cl)cccc3Cl)ccn2)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
The InChIKey is QRUNQRNPPDULQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O/c1-27(2)12-19-24-9-7-17(26-19)25-18-11-13(6-8-23-18)10-16(28)20-14(21)4-3-5-15(20)22/h3-9,11H,10,12H2,1-2H3,(H,23,24,25,26).
What are the key properties of 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone?
1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone has a molecular weight of 416.31 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-[2-[[2-[(dimethylamino)methyl]pyrimidin-4-yl]amino]-4-pyridinyl]ethanone is sourced from PubChem (CID 59618013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).