3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide

C20H27Cl2N5O4 — CID 30869746

IUPAC3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H27Cl2N5O4/c1-12(2)11-27-18(23)17(19(29)25-20(27)30)26(8-9-31-3)7-6-16(28)24-15-10-13(21)4-5-14(15)22/h4-5,10,12H,6-9,11,23H2,1-3H3,(H,24,28)(H,25,29,30)
InChIKeyJYJFYZHWZSYXOT-UHFFFAOYSA-N
MW472.37 g/mol
LogP2.56
Rot. Bonds10

About 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide

3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 30869746) has the molecular formula C20H27Cl2N5O4 and a molecular weight of 472.37 g/mol. Its IUPAC name is 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID30869746
Molecular FormulaC20H27Cl2N5O4
Molecular Weight472.37 g/mol
Exact Mass471.14
IUPAC Name3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H27Cl2N5O4/c1-12(2)11-27-18(23)17(19(29)25-20(27)30)26(8-9-31-3)7-6-16(28)24-15-10-13(21)4-5-14(15)22/h4-5,10,12H,6-9,11,23H2,1-3H3,(H,24,28)(H,25,29,30)
InChIKeyJYJFYZHWZSYXOT-UHFFFAOYSA-N
XLogP2.56
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide 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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78834390
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2,6-dichlorophenoxy)-N-(2-methoxyethyl)acetamide
CID 24684728
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 26181942
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 86912912
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 55517470
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 8840036
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 8840063
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide
CID 55340851

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide (CID 30869746) is 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide is COCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is JYJFYZHWZSYXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N5O4/c1-12(2)11-27-18(23)17(19(29)25-20(27)30)26(8-9-31-3)7-6-16(28)24-15-10-13(21)4-5-14(15)22/h4-5,10,12H,6-9,11,23H2,1-3H3,(H,24,28)(H,25,29,30).
What are the key properties of 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide?
3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 472.37 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 30869746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).