2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C17H25N3O3S — CID 135413432

IUPAC2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1nc(O)cc(=O)n1C1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-4-19(10-12(2)3)16(23)11-24-17-18-14(21)9-15(22)20(17)13-7-5-6-8-13/h9,13,21H,2,4-8,10-11H2,1,3H3
InChIKeyPHEYMBNKEVLPNN-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.58
Rot. Bonds7

About 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 135413432) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID135413432
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1nc(O)cc(=O)n1C1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-4-19(10-12(2)3)16(23)11-24-17-18-14(21)9-15(22)20(17)13-7-5-6-8-13/h9,13,21H,2,4-8,10-11H2,1,3H3
InChIKeyPHEYMBNKEVLPNN-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 135413432) is 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CSc1nc(O)cc(=O)n1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is PHEYMBNKEVLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-19(10-12(2)3)16(23)11-24-17-18-14(21)9-15(22)20(17)13-7-5-6-8-13/h9,13,21H,2,4-8,10-11H2,1,3H3.
What are the key properties of 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 135413432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).