2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide

C9H13N3O4 — CID 83030551

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
SMILESC[C@H](O)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-6(13)4-10-8(15)5-12-3-2-7(14)11-9(12)16/h2-3,6,13H,4-5H2,1H3,(H,10,15)(H,11,14,16)/t6-/m0/s1
InChIKeyJWZYLMKBUAMMSY-LURJTMIESA-N
MW227.22 g/mol
LogP-1.97
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide (PubChem CID 83030551) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
PubChem CID83030551
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
SMILESC[C@H](O)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-6(13)4-10-8(15)5-12-3-2-7(14)11-9(12)16/h2-3,6,13H,4-5H2,1H3,(H,10,15)(H,11,14,16)/t6-/m0/s1
InChIKeyJWZYLMKBUAMMSY-LURJTMIESA-N
XLogP-1.97
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82682929
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 119608805
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide (CID 83030551) is 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide is C[C@H](O)CNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide?
The InChIKey is JWZYLMKBUAMMSY-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6(13)4-10-8(15)5-12-3-2-7(14)11-9(12)16/h2-3,6,13H,4-5H2,1H3,(H,10,15)(H,11,14,16)/t6-/m0/s1.
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 83030551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).