N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C10H15N3O4S — CID 114171195

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCSCCCO)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4S/c14-3-1-4-18-5-2-11-9(16)7-6-8(15)13-10(17)12-7/h6,14H,1-5H2,(H,11,16)(H2,12,13,15,17)
InChIKeyIETBUGTYIUDKJI-UHFFFAOYSA-N
MW273.31 g/mol
LogP-1.09
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 114171195) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID114171195
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCSCCCO)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4S/c14-3-1-4-18-5-2-11-9(16)7-6-8(15)13-10(17)12-7/h6,14H,1-5H2,(H,11,16)(H2,12,13,15,17)
InChIKeyIETBUGTYIUDKJI-UHFFFAOYSA-N
XLogP-1.09
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43500353
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 103767261
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767757
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 103801046
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 106244323
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-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114151262

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 114171195) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCCSCCCO)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is IETBUGTYIUDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c14-3-1-4-18-5-2-11-9(16)7-6-8(15)13-10(17)12-7/h6,14H,1-5H2,(H,11,16)(H2,12,13,15,17).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 273.31 g/mol, XLogP of -1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 114171195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).