N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C15H16ClN3O3 — CID 84550037

IUPACN-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cn(C)c(=O)n(C)c2=O)c(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-8-5-9(2)12(11(16)6-8)17-13(20)10-7-18(3)15(22)19(4)14(10)21/h5-7H,1-4H3,(H,17,20)
InChIKeyACQXYILPFDMVTE-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.61
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84550037) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84550037
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cn(C)c(=O)n(C)c2=O)c(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-8-5-9(2)12(11(16)6-8)17-13(20)10-7-18(3)15(22)19(4)14(10)21/h5-7H,1-4H3,(H,17,20)
InChIKeyACQXYILPFDMVTE-UHFFFAOYSA-N
XLogP1.61
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
CID 110695870
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110299434
N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550021
N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681059
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide
CID 110859454
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
CID 113212446

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 84550037) is N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is Cc1cc(C)c(NC(=O)c2cn(C)c(=O)n(C)c2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is ACQXYILPFDMVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-8-5-9(2)12(11(16)6-8)17-13(20)10-7-18(3)15(22)19(4)14(10)21/h5-7H,1-4H3,(H,17,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84550037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).