2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide

C19H18Cl2N6O — CID 68672269

IUPAC2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCc1nc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cc(N(C)C)n1
InChIInChI=1S/C19H18Cl2N6O/c1-11-23-16(10-17(24-11)27(2)3)26-15-9-12(7-8-22-15)25-19(28)18-13(20)5-4-6-14(18)21/h4-10H,1-3H3,(H2,22,23,24,25,26,28)
InChIKeySZCCRBYRMGFDMS-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.55
Rot. Bonds5

About 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide (PubChem CID 68672269) has the molecular formula C19H18Cl2N6O and a molecular weight of 417.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
PubChem CID68672269
Molecular FormulaC19H18Cl2N6O
Molecular Weight417.30 g/mol
Exact Mass416.09
IUPAC Name2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCc1nc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cc(N(C)C)n1
InChIInChI=1S/C19H18Cl2N6O/c1-11-23-16(10-17(24-11)27(2)3)26-15-9-12(7-8-22-15)25-19(28)18-13(20)5-4-6-14(18)21/h4-10H,1-3H3,(H2,22,23,24,25,26,28)
InChIKeySZCCRBYRMGFDMS-UHFFFAOYSA-N
XLogP4.55
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672392
2,6-dichloro-N-[2-[[5-(dimethylamino)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618178
2,6-dichloro-N-[2-(dimethylamino)-4-pyridinyl]benzamide
CID 59618587
2,6-dichloro-N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672351
2,6-dichloro-N-[2-[[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672618
methyl 6-[[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 59617969
2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
CID 59617943
2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 70823675
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
2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618575
2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68673464

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide (CID 68672269) is 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide is Cc1nc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cc(N(C)C)n1.
What is the InChIKey of 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The InChIKey is SZCCRBYRMGFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O/c1-11-23-16(10-17(24-11)27(2)3)26-15-9-12(7-8-22-15)25-19(28)18-13(20)5-4-6-14(18)21/h4-10H,1-3H3,(H2,22,23,24,25,26,28).
What are the key properties of 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide has a molecular weight of 417.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 68672269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).