3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione

C23H20Cl2N6O2 — CID 58289952

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN1CCc2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2C1
InChIInChI=1S/C23H20Cl2N6O2/c1-29-9-8-13-6-7-15(10-14(13)12-29)27-22-26-11-16-20(28-22)30(2)23(33)31(21(16)32)19-17(24)4-3-5-18(19)25/h3-7,10-11H,8-9,12H2,1-2H3,(H,26,27,28)
InChIKeyPZBGGIQPHHAVLN-UHFFFAOYSA-N
MW483.36 g/mol
LogP3.52
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione

3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 58289952) has the molecular formula C23H20Cl2N6O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID58289952
Molecular FormulaC23H20Cl2N6O2
Molecular Weight483.36 g/mol
Exact Mass482.10
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN1CCc2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2C1
InChIInChI=1S/C23H20Cl2N6O2/c1-29-9-8-13-6-7-15(10-14(13)12-29)27-22-26-11-16-20(28-22)30(2)23(33)31(21(16)32)19-17(24)4-3-5-18(19)25/h3-7,10-11H,8-9,12H2,1-2H3,(H,26,27,28)
InChIKeyPZBGGIQPHHAVLN-UHFFFAOYSA-N
XLogP3.52
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione 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

3-(2,6-dichlorophenyl)-7-[[2-[(2S)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-4-imino-1-methylpyrimido[4,5-d]pyrimidin-2-one
CID 58289905
2-ethyl-6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 142557305
3-(2,6-dichlorophenyl)-2-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 155201665
3-(2,6-dichlorophenyl)-2,2-dimethyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[5,4-e][1,3]oxazin-4-one
CID 155201643
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-(6-methyl-2-pyridinyl)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 171348302
2-[(Z)-hex-2-enyl]-6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-(6-oxo-1H-pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-3-one
CID 155131973
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
3-[2-chloro-6-(fluoromethyl)phenyl]-1-ethyl-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 58458132
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
7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
CID 142514648
ethane;1-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 142525284
4-amino-3-(2-chloro-4-fluorophenyl)-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one
CID 58289876

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione (CID 58289952) is 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione is CN1CCc2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2C1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is PZBGGIQPHHAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O2/c1-29-9-8-13-6-7-15(10-14(13)12-29)27-22-26-11-16-20(28-22)30(2)23(33)31(21(16)32)19-17(24)4-3-5-18(19)25/h3-7,10-11H,8-9,12H2,1-2H3,(H,26,27,28).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione?
3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 483.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 58289952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).