N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H15Cl2N3O2 — CID 136890090

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C15H15Cl2N3O2/c1-8-13(15(22)20-9(2)19-8)14(21)18-6-5-10-3-4-11(16)7-12(10)17/h3-4,7H,5-6H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyYJOFRZSKFPPKQF-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136890090) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136890090
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C15H15Cl2N3O2/c1-8-13(15(22)20-9(2)19-8)14(21)18-6-5-10-3-4-11(16)7-12(10)17/h3-4,7H,5-6H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyYJOFRZSKFPPKQF-UHFFFAOYSA-N
XLogP2.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112790704
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
N-(2-methoxyethyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911216
N-[2-(2,4-dichlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46651015
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4796120
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64525006

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136890090) is N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)NCCc2ccc(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YJOFRZSKFPPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-8-13(15(22)20-9(2)19-8)14(21)18-6-5-10-3-4-11(16)7-12(10)17/h3-4,7H,5-6H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136890090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).