N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

C21H20Cl2N4O3 — CID 54711758

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCN(C)c1ccccc1-c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n1C
InChIInChI=1S/C21H20Cl2N4O3/c1-26(2)16-7-5-4-6-13(16)19-25-17(18(28)21(30)27(19)3)20(29)24-11-12-8-9-14(22)15(23)10-12/h4-10,28H,11H2,1-3H3,(H,24,29)
InChIKeyCKLSOVXGXILCGJ-UHFFFAOYSA-N
MW447.32 g/mol
LogP3.46
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54711758) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID54711758
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCN(C)c1ccccc1-c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n1C
InChIInChI=1S/C21H20Cl2N4O3/c1-26(2)16-7-5-4-6-13(16)19-25-17(18(28)21(30)27(19)3)20(29)24-11-12-8-9-14(22)15(23)10-12/h4-10,28H,11H2,1-3H3,(H,24,29)
InChIKeyCKLSOVXGXILCGJ-UHFFFAOYSA-N
XLogP3.46
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54711758) is N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is CN(C)c1ccccc1-c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n1C.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is CKLSOVXGXILCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-26(2)16-7-5-4-6-13(16)19-25-17(18(28)21(30)27(19)3)20(29)24-11-12-8-9-14(22)15(23)10-12/h4-10,28H,11H2,1-3H3,(H,24,29).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54711758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).