5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide

C19H25N3O2S — CID 42739353

IUPAC5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide
SMILESCc1cc(=O)n(C)c(SCCCCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C19H25N3O2S/c1-14-13-18(24)22(3)19(20-14)25-12-8-7-11-17(23)21-15(2)16-9-5-4-6-10-16/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyPOHMYNUSHRKENZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.23
Rot. Bonds8

About 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide

5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide (PubChem CID 42739353) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide.

Molecular Properties

Compound Name5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide
PubChem CID42739353
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide
SMILESCc1cc(=O)n(C)c(SCCCCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C19H25N3O2S/c1-14-13-18(24)22(3)19(20-14)25-12-8-7-11-17(23)21-15(2)16-9-5-4-6-10-16/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyPOHMYNUSHRKENZ-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide 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-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
CID 42739350
N-tert-butyl-4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739366
5-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide
CID 42739545
2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7748800
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)pentanamide
CID 42742250
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
6-[[2-[4,5-bis[[6-oxo-6-[[(1R)-1-phenylethyl]amino]hexyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[6-oxo-6-[[(1R)-1-phenylethyl]amino]hexyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]-N-[(1R)-1-phenylethyl]hexanamide
CID 101492478
N-benzyl-4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-phenylethyl)butanamide
CID 42739377
5-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1,2-diphenylethyl)pentanamide
CID 42658695
N-(1-phenylethyl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 42741437
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide?
The IUPAC name of 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide (CID 42739353) is 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide.
What is the SMILES notation for 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide?
The canonical SMILES for 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide is Cc1cc(=O)n(C)c(SCCCCC(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide?
The InChIKey is POHMYNUSHRKENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-13-18(24)22(3)19(20-14)25-12-8-7-11-17(23)21-15(2)16-9-5-4-6-10-16/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3,(H,21,23).
What are the key properties of 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide?
5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide has a molecular weight of 359.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide is sourced from PubChem (CID 42739353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).