2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide

C18H16N4O3S — CID 2894033

IUPAC2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C(=O)N2)c1
InChIInChI=1S/C18H16N4O3S/c1-11-7-8-19-13(9-11)20-14(23)10-26-18-21-16(24)15(17(25)22-18)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,20,23)(H,21,22,24,25)
InChIKeyIEGONWCBJHGYNZ-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.86
Rot. Bonds4

About 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide

2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 2894033) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID2894033
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C(=O)N2)c1
InChIInChI=1S/C18H16N4O3S/c1-11-7-8-19-13(9-11)20-14(23)10-26-18-21-16(24)15(17(25)22-18)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,20,23)(H,21,22,24,25)
InChIKeyIEGONWCBJHGYNZ-UHFFFAOYSA-N
XLogP1.86
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide 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-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide (CID 2894033) is 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C(=O)N2)c1.
What is the InChIKey of 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is IEGONWCBJHGYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-7-8-19-13(9-11)20-14(23)10-26-18-21-16(24)15(17(25)22-18)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,20,23)(H,21,22,24,25).
What are the key properties of 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 2894033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).