2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide

C14H23N3O3S — CID 3149865

IUPAC2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCCCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O
InChIInChI=1S/C14H23N3O3S/c1-4-7-8-10-12(19)15-14(16-13(10)20)21-9-11(18)17(5-2)6-3/h4-9H2,1-3H3,(H2,15,16,19,20)
InChIKeyPSDNMGMSRKQQNA-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.78
Rot. Bonds8

About 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide

2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 3149865) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID3149865
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCCCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O
InChIInChI=1S/C14H23N3O3S/c1-4-7-8-10-12(19)15-14(16-13(10)20)21-9-11(18)17(5-2)6-3/h4-9H2,1-3H3,(H2,15,16,19,20)
InChIKeyPSDNMGMSRKQQNA-UHFFFAOYSA-N
XLogP1.78
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide (CID 3149865) is 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide is CCCCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O.
What is the InChIKey of 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is PSDNMGMSRKQQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-7-8-10-12(19)15-14(16-13(10)20)21-9-11(18)17(5-2)6-3/h4-9H2,1-3H3,(H2,15,16,19,20).
What are the key properties of 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 3149865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).