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

C10H15N3O3 — CID 2748607

IUPAC3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide
SMILESCc1c(CCC(N)=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O3/c1-6-7(4-5-8(11)14)9(15)13(3)10(16)12(6)2/h4-5H2,1-3H3,(H2,11,14)
InChIKeyXVBIUXCFSSYHDX-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.19
Rot. Bonds3

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

3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide (PubChem CID 2748607) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide
PubChem CID2748607
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide
SMILESCc1c(CCC(N)=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O3/c1-6-7(4-5-8(11)14)9(15)13(3)10(16)12(6)2/h4-5H2,1-3H3,(H2,11,14)
InChIKeyXVBIUXCFSSYHDX-UHFFFAOYSA-N
XLogP-1.19
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
The IUPAC name of 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide (CID 2748607) is 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide is Cc1c(CCC(N)=O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
The InChIKey is XVBIUXCFSSYHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-7(4-5-8(11)14)9(15)13(3)10(16)12(6)2/h4-5H2,1-3H3,(H2,11,14).
What are the key properties of 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide?
3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide has a molecular weight of 225.25 g/mol, XLogP of -1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide is sourced from PubChem (CID 2748607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).