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

C23H22Cl2N4O4 — CID 54711753

IUPACN-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C23H22Cl2N4O4/c1-28-21(15-4-2-3-5-18(15)29-8-10-33-11-9-29)27-19(20(30)23(28)32)22(31)26-13-14-6-7-16(24)17(25)12-14/h2-7,12,30H,8-11,13H2,1H3,(H,26,31)
InChIKeyYPMOMUZBGNPUAJ-UHFFFAOYSA-N
MW489.36 g/mol
LogP3.23
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54711753) has the molecular formula C23H22Cl2N4O4 and a molecular weight of 489.36 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
PubChem CID54711753
Molecular FormulaC23H22Cl2N4O4
Molecular Weight489.36 g/mol
Exact Mass488.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C23H22Cl2N4O4/c1-28-21(15-4-2-3-5-18(15)29-8-10-33-11-9-29)27-19(20(30)23(28)32)22(31)26-13-14-6-7-16(24)17(25)12-14/h2-7,12,30H,8-11,13H2,1H3,(H,26,31)
InChIKeyYPMOMUZBGNPUAJ-UHFFFAOYSA-N
XLogP3.23
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717365
N-[(3,4-dichlorophenyl)methyl]-9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717371
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717537
2-[2-({[(3,4-Dichlorophenyl)methyl]amino}carbonylamino)phenyl]-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434197
N-[(3,4-dichlorophenyl)methyl]-2-[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54691443
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
CID 54711757
N-[(4-fluorophenyl)methyl]-5-hydroxy-N-methyl-2-(2-morpholin-4-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136471255
N-[(3,4-dichlorophenyl)methyl]-2-[2-fluoro-6-[methyl(methylsulfanyl)amino]phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 142961567
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxo-imidazolidin-1-yl)-7-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 66668473
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7,9-dimorpholino-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 68025490
N-[(3-chloro-4-methylphenyl)methyl]-2-[2-(dimethylamino)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54676259
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
CID 54681880

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide (CID 54711753) is N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide is Cn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is YPMOMUZBGNPUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O4/c1-28-21(15-4-2-3-5-18(15)29-8-10-33-11-9-29)27-19(20(30)23(28)32)22(31)26-13-14-6-7-16(24)17(25)12-14/h2-7,12,30H,8-11,13H2,1H3,(H,26,31).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 489.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54711753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).