2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide

C9H13N3O4 — CID 2149965

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
SMILESC[C@H](O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c1-5(13)4-10-7(14)2-6-3-8(15)12-9(16)11-6/h3,5,13H,2,4H2,1H3,(H,10,14)(H2,11,12,15,16)/t5-/m0/s1
InChIKeyGSCKFLDBJNPUOJ-YFKPBYRVSA-N
MW227.22 g/mol
LogP-1.90
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide (PubChem CID 2149965) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
PubChem CID2149965
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
SMILESC[C@H](O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c1-5(13)4-10-7(14)2-6-3-8(15)12-9(16)11-6/h3,5,13H,2,4H2,1H3,(H,10,14)(H2,11,12,15,16)/t5-/m0/s1
InChIKeyGSCKFLDBJNPUOJ-YFKPBYRVSA-N
XLogP-1.90
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
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-[(2S)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide (CID 2149965) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide is C[C@H](O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide?
The InChIKey is GSCKFLDBJNPUOJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(13)4-10-7(14)2-6-3-8(15)12-9(16)11-6/h3,5,13H,2,4H2,1H3,(H,10,14)(H2,11,12,15,16)/t5-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.90, 4 rotatable bonds, 4 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-[(2S)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 2149965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).