N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

C15H23N3O3S — CID 135439887

IUPACN-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc(O)cc(=O)n1C1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-2-3-8-16-13(20)10-22-15-17-12(19)9-14(21)18(15)11-6-4-5-7-11/h9,11,19H,2-8,10H2,1H3,(H,16,20)
InChIKeyXWZIYNMPZMNEPS-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.07
Rot. Bonds7

About N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135439887) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135439887
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc(O)cc(=O)n1C1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-2-3-8-16-13(20)10-22-15-17-12(19)9-14(21)18(15)11-6-4-5-7-11/h9,11,19H,2-8,10H2,1H3,(H,16,20)
InChIKeyXWZIYNMPZMNEPS-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide 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

N-Cyclopentyl-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-acetamide
CID 860085
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
4-amino-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490319
N-tert-butyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135449566
N-tert-butyl-2-[(1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135403382
2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 135413432
2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 135403543
2-(4,6-dihydroxypyrimidin-2-ylthio)-N,N-diethylacetamide
CID 711681
2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 16332186
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 135464476
N-cyclopentyl(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinylthio)acetamide
CID 135561541
2-{[2-oxo-2-(1-piperidinyl)ethyl]sulfanyl}-4,6(3H,5H)-pyrimidinedione
CID 705077

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135439887) is N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is CCCCNC(=O)CSc1nc(O)cc(=O)n1C1CCCC1.
What is the InChIKey of N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XWZIYNMPZMNEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-3-8-16-13(20)10-22-15-17-12(19)9-14(21)18(15)11-6-4-5-7-11/h9,11,19H,2-8,10H2,1H3,(H,16,20).
What are the key properties of N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 325.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135439887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).