2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C18H22N4O2S — CID 1090938

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C18H22N4O2S/c1-13-11-14(2)20-18(19-13)25-12-17(23)21-15-3-5-16(6-4-15)22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyQATIWOGFDSMMFR-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.66
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 1090938) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID1090938
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C18H22N4O2S/c1-13-11-14(2)20-18(19-13)25-12-17(23)21-15-3-5-16(6-4-15)22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyQATIWOGFDSMMFR-UHFFFAOYSA-N
XLogP2.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 1090938) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is QATIWOGFDSMMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-11-14(2)20-18(19-13)25-12-17(23)21-15-3-5-16(6-4-15)22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1090938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).