2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C12H17N3O4 — CID 45280816

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cn(CC(=O)NCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-8-6-15(12(18)14-11(8)17)7-10(16)13-5-9-3-2-4-19-9/h6,9H,2-5,7H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyXKXQDAIIUAKPLM-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.86
Rot. Bonds4

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 45280816) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID45280816
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cn(CC(=O)NCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-8-6-15(12(18)14-11(8)17)7-10(16)13-5-9-3-2-4-19-9/h6,9H,2-5,7H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyXKXQDAIIUAKPLM-UHFFFAOYSA-N
XLogP-0.86
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 45280816) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cn(CC(=O)NCC2CCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is XKXQDAIIUAKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-6-15(12(18)14-11(8)17)7-10(16)13-5-9-3-2-4-19-9/h6,9H,2-5,7H2,1H3,(H,13,16)(H,14,17,18).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 267.28 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 45280816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).