N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide

C16H19N3O4 — CID 784191

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-9-6-10(2)18-16(17-9)19-15(20)11-7-12(21-3)14(23-5)13(8-11)22-4/h6-8H,1-5H3,(H,17,18,19,20)
InChIKeyOJEHSMNZHFKYLM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.37
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide

N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 784191) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID784191
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-9-6-10(2)18-16(17-9)19-15(20)11-7-12(21-3)14(23-5)13(8-11)22-4/h6-8H,1-5H3,(H,17,18,19,20)
InChIKeyOJEHSMNZHFKYLM-UHFFFAOYSA-N
XLogP2.37
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide (CID 784191) is N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OC)c1OC.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is OJEHSMNZHFKYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9-6-10(2)18-16(17-9)19-15(20)11-7-12(21-3)14(23-5)13(8-11)22-4/h6-8H,1-5H3,(H,17,18,19,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 317.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 784191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).