ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide

C12H17N3O4 — CID 164912261

IUPACethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide
SMILESCC.Cn1cc(C#CCNC(=O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O4.C2H6/c1-13-5-7(9(16)12-10(13)17)3-2-4-11-8(15)6-14;1-2/h5,14H,4,6H2,1H3,(H,11,15)(H,12,16,17);1-2H3
InChIKeyJVTSYXVNEYZHDH-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.44
Rot. Bonds2

About ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide

ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide (PubChem CID 164912261) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Nameethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide
PubChem CID164912261
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nameethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide
SMILESCC.Cn1cc(C#CCNC(=O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O4.C2H6/c1-13-5-7(9(16)12-10(13)17)3-2-4-11-8(15)6-14;1-2/h5,14H,4,6H2,1H3,(H,11,15)(H,12,16,17);1-2H3
InChIKeyJVTSYXVNEYZHDH-UHFFFAOYSA-N
XLogP-1.44
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]propanamide
CID 166551975
ethane;2-methyl-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]propanamide
CID 163281705
N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide
CID 142489171
5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione
CID 67951281
N-[3-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-4-methylpentanamide
CID 168810176
S-[3-[3-(1-tert-butyl-2,4-dioxopyrimidin-5-yl)prop-2-ynylamino]-3-oxopropyl] ethanethioate
CID 146618389
1-ethyl-5-(3-hydroxyprop-1-ynyl)pyrimidine-2,4-dione
CID 169267134
5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 164872342
2,2,2-trifluoro-N-[3-[1-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide
CID 134901966
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide;ethane
CID 166552015
2,2,2-trifluoro-N-[3-[1-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide
CID 54316676
N-[3-[1-[2-(aminomethoxy)-4-hydroxy-3-methoxybutyl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 155421320

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide?
The IUPAC name of ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide (CID 164912261) is ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide.
What is the SMILES notation for ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide?
The canonical SMILES for ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide is CC.Cn1cc(C#CCNC(=O)CO)c(=O)[nH]c1=O.
What is the InChIKey of ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide?
The InChIKey is JVTSYXVNEYZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4.C2H6/c1-13-5-7(9(16)12-10(13)17)3-2-4-11-8(15)6-14;1-2/h5,14H,4,6H2,1H3,(H,11,15)(H,12,16,17);1-2H3.
What are the key properties of ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide?
ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide has a molecular weight of 267.28 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide is sourced from PubChem (CID 164912261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).