2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide

C11H15N3O4 — CID 6324579

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1CCCO1
InChIInChI=1S/C11H15N3O4/c15-9(12-6-8-2-1-3-18-8)4-7-5-10(16)14-11(17)13-7/h5,8H,1-4,6H2,(H,12,15)(H2,13,14,16,17)
InChIKeyXOEPVEZOXBZHQK-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.10
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 6324579) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID6324579
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1CCCO1
InChIInChI=1S/C11H15N3O4/c15-9(12-6-8-2-1-3-18-8)4-7-5-10(16)14-11(17)13-7/h5,8H,1-4,6H2,(H,12,15)(H2,13,14,16,17)
InChIKeyXOEPVEZOXBZHQK-UHFFFAOYSA-N
XLogP-1.10
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 6324579) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1CCCO1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is XOEPVEZOXBZHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9(12-6-8-2-1-3-18-8)4-7-5-10(16)14-11(17)13-7/h5,8H,1-4,6H2,(H,12,15)(H2,13,14,16,17).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 253.26 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 6324579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).