N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide

C15H17N3O2 — CID 91969122

IUPACN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
SMILESCOc1nc(C)c(NC(=O)c2ccc(C)cc2)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-9-5-7-12(8-6-9)14(19)18-13-10(2)16-15(20-4)17-11(13)3/h5-8H,1-4H3,(H,18,19)
InChIKeyLXMRLSBLZLTBRS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds3

About N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide (PubChem CID 91969122) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
PubChem CID91969122
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
SMILESCOc1nc(C)c(NC(=O)c2ccc(C)cc2)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-9-5-7-12(8-6-9)14(19)18-13-10(2)16-15(20-4)17-11(13)3/h5-8H,1-4H3,(H,18,19)
InChIKeyLXMRLSBLZLTBRS-UHFFFAOYSA-N
XLogP2.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205209
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205198
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302849
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
CID 91969119
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide
CID 122302915
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide (CID 91969122) is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide is COc1nc(C)c(NC(=O)c2ccc(C)cc2)c(C)n1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide?
The InChIKey is LXMRLSBLZLTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-7-12(8-6-9)14(19)18-13-10(2)16-15(20-4)17-11(13)3/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide?
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide is sourced from PubChem (CID 91969122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).