2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

C11H17N3O4S — CID 103767757

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSCCCO
InChIInChI=1S/C11H17N3O4S/c15-5-1-6-19-7-3-12-10(17)8-14-4-2-9(16)13-11(14)18/h2,4,15H,1,3,5-8H2,(H,12,17)(H,13,16,18)
InChIKeyMJELVFISQQSOMO-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.23
Rot. Bonds8

About 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (PubChem CID 103767757) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
PubChem CID103767757
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSCCCO
InChIInChI=1S/C11H17N3O4S/c15-5-1-6-19-7-3-12-10(17)8-14-4-2-9(16)13-11(14)18/h2,4,15H,1,3,5-8H2,(H,12,17)(H,13,16,18)
InChIKeyMJELVFISQQSOMO-UHFFFAOYSA-N
XLogP-1.23
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione
CID 143272247
N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 32542955
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 103767261
2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798965
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 103801046
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 103801226
6-[[2-(3-Hydroxypropylsulfanyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 106310313
6-Amino-5-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrimidine-2,4-dione
CID 113232638
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114171195
2-[2-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241574

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (CID 103767757) is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCSCCCO.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The InChIKey is MJELVFISQQSOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c15-5-1-6-19-7-3-12-10(17)8-14-4-2-9(16)13-11(14)18/h2,4,15H,1,3,5-8H2,(H,12,17)(H,13,16,18).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide has a molecular weight of 287.34 g/mol, XLogP of -1.23, 8 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-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).