N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide

C9H13N3O3 — CID 14148177

IUPACN-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-5-7(10-6(2)13)8(14)12(4)9(15)11(5)3/h1-4H3,(H,10,13)
InChIKeyRNCPQTQXDNTWCA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.65
Rot. Bonds1

About N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide

N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide (PubChem CID 14148177) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
PubChem CID14148177
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-5-7(10-6(2)13)8(14)12(4)9(15)11(5)3/h1-4H3,(H,10,13)
InChIKeyRNCPQTQXDNTWCA-UHFFFAOYSA-N
XLogP-0.65
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
The IUPAC name of N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide (CID 14148177) is N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
The canonical SMILES for N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide is CC(=O)Nc1c(C)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
The InChIKey is RNCPQTQXDNTWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-7(10-6(2)13)8(14)12(4)9(15)11(5)3/h1-4H3,(H,10,13).
What are the key properties of N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide is sourced from PubChem (CID 14148177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).