4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide

C13H12ClN3O3 — CID 11748395

IUPAC4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCn1c(Cl)c(C(=O)Nc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-16-10(14)9(12(19)17(2)13(16)20)11(18)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,18)
InChIKeyLAGODTCJJFFSBD-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.99
Rot. Bonds2

About 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide

4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 11748395) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
PubChem CID11748395
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCn1c(Cl)c(C(=O)Nc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-16-10(14)9(12(19)17(2)13(16)20)11(18)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,18)
InChIKeyLAGODTCJJFFSBD-UHFFFAOYSA-N
XLogP0.99
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
1-methyl-N-phenylpyrrole-3-carboxamide
CID 110762710
4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
CID 172593964
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
4-[(4-chlorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134117203
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
2-[[1,6-dimethyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1,6-dimethyl-N-phenylindole-3-carboxamide
CID 5328608
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide (CID 11748395) is 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide is Cn1c(Cl)c(C(=O)Nc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is LAGODTCJJFFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-16-10(14)9(12(19)17(2)13(16)20)11(18)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,18).
What are the key properties of 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 11748395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).