N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide

C13H13N3O2 — CID 135725014

IUPACN-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCc1nc(C)c(NC(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O2/c1-8-11(13(18)15-9(2)14-8)16-12(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyKIXKUOXRMDVDJB-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.64
Rot. Bonds2

About N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide

N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide (PubChem CID 135725014) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide
PubChem CID135725014
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCc1nc(C)c(NC(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O2/c1-8-11(13(18)15-9(2)14-8)16-12(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyKIXKUOXRMDVDJB-UHFFFAOYSA-N
XLogP1.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-2,6-dimethylpyridine-4-carboxamide
CID 134870298
2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714784
N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
CID 45086799
ethyl 2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714770
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078
N-[4-amino-2-(2-methoxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714732
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-acridin-9-ylbenzamide
CID 40532924
N-[4-amino-2-(3-methylbutylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714725
2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 136890119
N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669948
N-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)benzamide
CID 23530752

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide (CID 135725014) is N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide is Cc1nc(C)c(NC(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The InChIKey is KIXKUOXRMDVDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-11(13(18)15-9(2)14-8)16-12(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide has a molecular weight of 243.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 135725014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).