N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C12H9Cl2N3O3 — CID 121025290

IUPACN-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C12H9Cl2N3O3/c1-17-11(19)7(5-15-12(17)20)10(18)16-9-4-6(13)2-3-8(9)14/h2-5H,1H3,(H,15,20)(H,16,18)
InChIKeyPMRKWNLWJXYJTI-UHFFFAOYSA-N
MW314.13 g/mol
LogP1.63
Rot. Bonds2

About N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025290) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025290
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC NameN-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C12H9Cl2N3O3/c1-17-11(19)7(5-15-12(17)20)10(18)16-9-4-6(13)2-3-8(9)14/h2-5H,1H3,(H,15,20)(H,16,18)
InChIKeyPMRKWNLWJXYJTI-UHFFFAOYSA-N
XLogP1.63
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 16815260
3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025257
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41230501
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473468
N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025230
N-(2-chloro-5-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717937
3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137461
3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
CID 112523234
N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 119440340
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-(4-chlorophenyl)-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 120977793

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025290) is N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)Nc2cc(Cl)ccc2Cl)c1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is PMRKWNLWJXYJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c1-17-11(19)7(5-15-12(17)20)10(18)16-9-4-6(13)2-3-8(9)14/h2-5H,1H3,(H,15,20)(H,16,18).
What are the key properties of N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 314.13 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).