N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

C15H25N3O3S — CID 1073944

IUPACN,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(O)c(CCC(C)C)c(=O)[nH]1
InChIInChI=1S/C15H25N3O3S/c1-5-18(6-2)12(19)9-22-15-16-13(20)11(14(21)17-15)8-7-10(3)4/h10H,5-9H2,1-4H3,(H2,16,17,20,21)
InChIKeyCCSBSNRYBNTLCH-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.02
Rot. Bonds8

About N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 1073944) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID1073944
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(O)c(CCC(C)C)c(=O)[nH]1
InChIInChI=1S/C15H25N3O3S/c1-5-18(6-2)12(19)9-22-15-16-13(20)11(14(21)17-15)8-7-10(3)4/h10H,5-9H2,1-4H3,(H2,16,17,20,21)
InChIKeyCCSBSNRYBNTLCH-UHFFFAOYSA-N
XLogP2.02
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Azepan-1-yl-2-oxo-ethylsulfanyl)-5-butyl-6-hydroxy-3H-pyrimidin-4-one
CID 3149866
4-hydroxy-5-(3-methylbutyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one
CID 1073942
5-butyl-6-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058947
2-(2-Dimethylamino-ethylsulfanyl)-6-hydroxy-5-isopropyl-3H-pyrimidin-4-one
CID 2879603
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-hydroxy-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 4053241
5-sec-butyl-6-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 3450065
6-hydroxy-5-isopropyl-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058791
2-(2-Dimethylamino-ethylsulfanyl)-6-hydroxy-5-pentyl-3H-pyrimidin-4-one
CID 16682223
Isothiobarbamin
CID 132771
N,N-diethyl-2-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]acetamide
CID 796354
2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-hexylpyrimidine-4,6-diol
CID 1828093
2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one;hydrochloride
CID 16189439

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 1073944) is N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(O)c(CCC(C)C)c(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is CCSBSNRYBNTLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-18(6-2)12(19)9-22-15-16-13(20)11(14(21)17-15)8-7-10(3)4/h10H,5-9H2,1-4H3,(H2,16,17,20,21).
What are the key properties of N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 327.45 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1073944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).