N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide

C13H13N3O2 — CID 53222392

IUPACN,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C13H13N3O2/c1-16(2)12(17)10-5-3-9(4-6-10)11-7-14-13(18)15-8-11/h3-8H,1-2H3,(H,14,15,18)
InChIKeyJWSFQFQSMHDCMT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.14
Rot. Bonds2

About N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide

N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide (PubChem CID 53222392) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
PubChem CID53222392
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C13H13N3O2/c1-16(2)12(17)10-5-3-9(4-6-10)11-7-14-13(18)15-8-11/h3-8H,1-2H3,(H,14,15,18)
InChIKeyJWSFQFQSMHDCMT-UHFFFAOYSA-N
XLogP1.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(6-oxo-1H-pyridin-3-yl)benzamide
CID 53218069
5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224066
4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide
CID 53222393
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
5-(2-acetylphenyl)-1H-pyrimidin-2-one
CID 105467489
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 126449011
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide
CID 39796856
N,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 146274386

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide (CID 53222392) is N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide is CN(C)C(=O)c1ccc(-c2cnc(=O)[nH]c2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide?
The InChIKey is JWSFQFQSMHDCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(2)12(17)10-5-3-9(4-6-10)11-7-14-13(18)15-8-11/h3-8H,1-2H3,(H,14,15,18).
What are the key properties of N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide?
N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide has a molecular weight of 243.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 53222392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).