N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide

C14H15N3O4 — CID 2148433

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C14H15N3O4/c1-16-11(8-12(18)17(2)14(16)20)15-13(19)9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,15,19)
InChIKeyPGIZXWRGHKOGOA-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.34
Rot. Bonds3

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide (PubChem CID 2148433) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide
PubChem CID2148433
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C14H15N3O4/c1-16-11(8-12(18)17(2)14(16)20)15-13(19)9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,15,19)
InChIKeyPGIZXWRGHKOGOA-UHFFFAOYSA-N
XLogP0.34
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide (CID 2148433) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide?
The InChIKey is PGIZXWRGHKOGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16-11(8-12(18)17(2)14(16)20)15-13(19)9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,15,19).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide has a molecular weight of 289.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 2148433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).