4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

C22H20Cl4N6O — CID 23647639

IUPAC4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C22H20Cl4N6O/c1-31(2)9-8-27-21-29-18(13-7-6-12(23)10-17(13)26)14-11-28-22(33)32(20(14)30-21)19-15(24)4-3-5-16(19)25/h3-7,10H,8-9,11H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyWKWWQXNWGMMYRC-UHFFFAOYSA-N
MW526.26 g/mol
LogP6.09
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (PubChem CID 23647639) has the molecular formula C22H20Cl4N6O and a molecular weight of 526.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
PubChem CID23647639
Molecular FormulaC22H20Cl4N6O
Molecular Weight526.26 g/mol
Exact Mass524.05
IUPAC Name4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C22H20Cl4N6O/c1-31(2)9-8-27-21-29-18(13-7-6-12(23)10-17(13)26)14-11-28-22(33)32(20(14)30-21)19-15(24)4-3-5-16(19)25/h3-7,10H,8-9,11H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyWKWWQXNWGMMYRC-UHFFFAOYSA-N
XLogP6.09
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.26
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-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

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{[1-(propan-2-yl)piperidin-4-yl]amino}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 16043321
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2-dimethylpropyl)amino]-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647635
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647641
5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647642
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}amino)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647648
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647649
1-Cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
CID 5328136
3-[6-(2,6-Dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-1-phenylurea
CID 5328137
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-(piperidin-4-ylamino)-1,6-naphthyridin-2(1h)-one
CID 22648065
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
CID 23532740
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,6-naphthyridin-2-one
CID 23532804
1,6-Naphthyridine 33
CID 5330143

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (CID 23647639) is 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is CN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2.
What is the InChIKey of 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is WKWWQXNWGMMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl4N6O/c1-31(2)9-8-27-21-29-18(13-7-6-12(23)10-17(13)26)14-11-28-22(33)32(20(14)30-21)19-15(24)4-3-5-16(19)25/h3-7,10H,8-9,11H2,1-2H3,(H,28,33)(H,27,29,30).
What are the key properties of 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 526.26 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-8-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 23647639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).