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

C14H15N3O3 — CID 2148495

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)13(19)15-11-8-12(18)17(3)14(20)16(11)2/h4-8H,1-3H3,(H,15,19)
InChIKeyGRMCJFKBOHFLDB-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.64
Rot. Bonds2

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

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide (PubChem CID 2148495) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide
PubChem CID2148495
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)13(19)15-11-8-12(18)17(3)14(20)16(11)2/h4-8H,1-3H3,(H,15,19)
InChIKeyGRMCJFKBOHFLDB-UHFFFAOYSA-N
XLogP0.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide (CID 2148495) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide?
The InChIKey is GRMCJFKBOHFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)13(19)15-11-8-12(18)17(3)14(20)16(11)2/h4-8H,1-3H3,(H,15,19).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide has a molecular weight of 273.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide is sourced from PubChem (CID 2148495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).