4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one

C22H19Cl2N7O4S — CID 58455491

IUPAC4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
SMILESNc1c2cnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2nc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C22H19Cl2N7O4S/c23-16-2-1-3-17(24)18(16)31-19(25)15-12-26-21(28-20(15)29-22(31)32)27-13-4-6-14(7-5-13)36(33,34)30-8-10-35-11-9-30/h1-7,12H,8-11,25H2,(H,27,28,29,32)
InChIKeyFABQCIIVQBKXJE-UHFFFAOYSA-N
MW548.41 g/mol
LogP2.83
Rot. Bonds5

About 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one

4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 58455491) has the molecular formula C22H19Cl2N7O4S and a molecular weight of 548.41 g/mol. Its IUPAC name is 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
PubChem CID58455491
Molecular FormulaC22H19Cl2N7O4S
Molecular Weight548.41 g/mol
Exact Mass547.06
IUPAC Name4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
SMILESNc1c2cnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2nc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C22H19Cl2N7O4S/c23-16-2-1-3-17(24)18(16)31-19(25)15-12-26-21(28-20(15)29-22(31)32)27-13-4-6-14(7-5-13)36(33,34)30-8-10-35-11-9-30/h1-7,12H,8-11,25H2,(H,27,28,29,32)
InChIKeyFABQCIIVQBKXJE-UHFFFAOYSA-N
XLogP2.83
TPSA145.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one 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

4-amino-3-(2,6-dichlorophenyl)-7-[4-[(dimethylamino)methyl]anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 46233964
4-amino-3-(2,6-dichlorophenyl)-7-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455452
4-amino-3-(2,6-dichlorophenyl)-7-[4-(4-ethanimidoylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455517
4-amino-3-(2,6-dichlorophenyl)-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimido[4,5-d]pyrimidin-2-one
CID 58289970
4-amino-3-(2,6-dichlorophenyl)-7-[4-[2-(1-methylazetidin-2-yl)ethoxy]anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455455
4-amino-3-(2,6-dichlorophenyl)-7-[(2-ethyl-1,1-dimethyl-3,4-dihydroisoquinolin-6-yl)amino]pyrimido[4,5-d]pyrimidin-2-one
CID 58289800
4-amino-3-(2,6-dichlorophenyl)-7-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one;hydrate
CID 44595896
bis(4-amino-3-(2,6-dichlorophenyl)-7-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one);heptahydrate;tetrahydrochloride
CID 44595897
4-amino-3-(2,6-dichlorophenyl)-7-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 46234137
4-amino-3-(2,6-dichlorophenyl)-7-[[8-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]pyrimido[4,5-d]pyrimidin-2-one
CID 58289856
7-[(2-acetyl-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-amino-3-(2,6-dichlorophenyl)pyrimido[4,5-d]pyrimidin-2-one
CID 68653777
4-amino-3-(2,6-dichlorophenyl)-7-[[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]pyrimido[4,5-d]pyrimidin-2-one
CID 25164715

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one (CID 58455491) is 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one is Nc1c2cnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2nc(=O)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is FABQCIIVQBKXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N7O4S/c23-16-2-1-3-17(24)18(16)31-19(25)15-12-26-21(28-20(15)29-22(31)32)27-13-4-6-14(7-5-13)36(33,34)30-8-10-35-11-9-30/h1-7,12H,8-11,25H2,(H,27,28,29,32).
What are the key properties of 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one?
4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 548.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 58455491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).