N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide

C14H15N3O4 — CID 730507

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C14H15N3O4/c1-19-10-6-4-9(5-7-10)13(18)15-11-8-12(20-2)17-14(16-11)21-3/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeySIYQHQJJYPAQMH-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.75
Rot. Bonds5

About N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide

N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide (PubChem CID 730507) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide
PubChem CID730507
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C14H15N3O4/c1-19-10-6-4-9(5-7-10)13(18)15-11-8-12(20-2)17-14(16-11)21-3/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeySIYQHQJJYPAQMH-UHFFFAOYSA-N
XLogP1.75
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide (CID 730507) is N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(OC)nc(OC)n2)cc1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide?
The InChIKey is SIYQHQJJYPAQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-19-10-6-4-9(5-7-10)13(18)15-11-8-12(20-2)17-14(16-11)21-3/h4-8H,1-3H3,(H,15,16,17,18).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide?
N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide has a molecular weight of 289.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 730507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).