6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione

C24H24ClN5O3 — CID 60506277

IUPAC6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
SMILESCOCCN(Cc1c(Cl)ccc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H24ClN5O3/c1-33-13-12-29(15-18-19(25)10-9-17-8-5-11-27-20(17)18)21-22(26)30(24(32)28-23(21)31)14-16-6-3-2-4-7-16/h2-11H,12-15,26H2,1H3,(H,28,31,32)
InChIKeyYQQVKVIUFBSVBK-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.02
Rot. Bonds8

About 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione (PubChem CID 60506277) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
PubChem CID60506277
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
SMILESCOCCN(Cc1c(Cl)ccc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H24ClN5O3/c1-33-13-12-29(15-18-19(25)10-9-17-8-5-11-27-20(17)18)21-22(26)30(24(32)28-23(21)31)14-16-6-3-2-4-7-16/h2-11H,12-15,26H2,1H3,(H,28,31,32)
InChIKeyYQQVKVIUFBSVBK-UHFFFAOYSA-N
XLogP3.02
TPSA106.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]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

6-amino-1-benzyl-5-[(2-bromophenyl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
CID 46537618
6-amino-5-[benzyl-[(2,6-dichlorophenyl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 36956398
3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 55989757
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)propanamide
CID 52895438
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)acetamide
CID 2366653
6-amino-1-benzyl-5-[3-methoxypropyl(5-pyrazol-1-ylpentyl)amino]pyrimidine-2,4-dione
CID 56550685
6-amino-5-[benzyl-[2-(4-chlorophenoxy)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777857
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26120760
6-amino-1-benzyl-5-[2-(3-fluorophenoxy)ethyl-(3-methoxypropyl)amino]pyrimidine-2,4-dione
CID 36947650
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 2557629
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 24688003
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[benzyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 27133730

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione (CID 60506277) is 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione is COCCN(Cc1c(Cl)ccc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione?
The InChIKey is YQQVKVIUFBSVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-33-13-12-29(15-18-19(25)10-9-17-8-5-11-27-20(17)18)21-22(26)30(24(32)28-23(21)31)14-16-6-3-2-4-7-16/h2-11H,12-15,26H2,1H3,(H,28,31,32).
What are the key properties of 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione has a molecular weight of 465.94 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[(7-chloroquinolin-8-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 60506277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).