2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

C12H17N3O5 — CID 103954132

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H17N3O5/c16-8-12(2-5-20-6-3-12)14-10(18)7-15-4-1-9(17)13-11(15)19/h1,4,16H,2-3,5-8H2,(H,14,18)(H,13,17,19)
InChIKeyUXBUEYMZPPICCI-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.81
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (PubChem CID 103954132) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
PubChem CID103954132
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H17N3O5/c16-8-12(2-5-20-6-3-12)14-10(18)7-15-4-1-9(17)13-11(15)19/h1,4,16H,2-3,5-8H2,(H,14,18)(H,13,17,19)
InChIKeyUXBUEYMZPPICCI-UHFFFAOYSA-N
XLogP-1.81
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (CID 103954132) is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The InChIKey is UXBUEYMZPPICCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-8-12(2-5-20-6-3-12)14-10(18)7-15-4-1-9(17)13-11(15)19/h1,4,16H,2-3,5-8H2,(H,14,18)(H,13,17,19).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide has a molecular weight of 283.28 g/mol, XLogP of -1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is sourced from PubChem (CID 103954132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).