2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide

C22H19Cl2N5O3 — CID 59618366

IUPAC2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H19Cl2N5O3/c23-16-2-1-3-17(24)20(16)21(30)28-19-12-18(25-13-26-19)27-15-6-4-14(5-7-15)22(31)29-8-10-32-11-9-29/h1-7,12-13H,8-11H2,(H2,25,26,27,28,30)
InChIKeyUGZQMSNZTFPAAM-UHFFFAOYSA-N
MW472.33 g/mol
LogP4.25
Rot. Bonds5

About 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide

2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide (PubChem CID 59618366) has the molecular formula C22H19Cl2N5O3 and a molecular weight of 472.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide
PubChem CID59618366
Molecular FormulaC22H19Cl2N5O3
Molecular Weight472.33 g/mol
Exact Mass471.09
IUPAC Name2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H19Cl2N5O3/c23-16-2-1-3-17(24)20(16)21(30)28-19-12-18(25-13-26-19)27-15-6-4-14(5-7-15)22(31)29-8-10-32-11-9-29/h1-7,12-13H,8-11H2,(H2,25,26,27,28,30)
InChIKeyUGZQMSNZTFPAAM-UHFFFAOYSA-N
XLogP4.25
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide
CID 59618325
2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide
CID 59618216
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343620
2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide
CID 162440388
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 167862130
3-[4-(morpholine-4-carbonyl)anilino]benzonitrile
CID 151868524
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
[4-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 66711226
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide (CID 59618366) is 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide is O=C(Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncn1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide?
The InChIKey is UGZQMSNZTFPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O3/c23-16-2-1-3-17(24)20(16)21(30)28-19-12-18(25-13-26-19)27-15-6-4-14(5-7-15)22(31)29-8-10-32-11-9-29/h1-7,12-13H,8-11H2,(H2,25,26,27,28,30).
What are the key properties of 2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide?
2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide has a molecular weight of 472.33 g/mol, XLogP of 4.25, 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-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 59618366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).