N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide

C10H15N3O4 — CID 10444355

IUPACN-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(CC(CO)CO)c(=O)n1
InChIInChI=1S/C10H15N3O4/c1-7(16)11-9-2-3-13(10(17)12-9)4-8(5-14)6-15/h2-3,8,14-15H,4-6H2,1H3,(H,11,12,16,17)
InChIKeyFXEDAABHZJWUSJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.20
Rot. Bonds5

About N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 10444355) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID10444355
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(CC(CO)CO)c(=O)n1
InChIInChI=1S/C10H15N3O4/c1-7(16)11-9-2-3-13(10(17)12-9)4-8(5-14)6-15/h2-3,8,14-15H,4-6H2,1H3,(H,11,12,16,17)
InChIKeyFXEDAABHZJWUSJ-UHFFFAOYSA-N
XLogP-1.20
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide (CID 10444355) is N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn(CC(CO)CO)c(=O)n1.
What is the InChIKey of N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is FXEDAABHZJWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(16)11-9-2-3-13(10(17)12-9)4-8(5-14)6-15/h2-3,8,14-15H,4-6H2,1H3,(H,11,12,16,17).
What are the key properties of N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 10444355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).