2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C15H22N6O2S — CID 37330745

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CSc1ncc(C#N)c(N)n1)N1CCOCC1
InChIInChI=1S/C15H22N6O2S/c1-15(2,21-3-5-23-6-4-21)10-19-12(22)9-24-14-18-8-11(7-16)13(17)20-14/h8H,3-6,9-10H2,1-2H3,(H,19,22)(H2,17,18,20)
InChIKeyPXOXIMBRDIYFGY-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.25
Rot. Bonds6

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 37330745) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID37330745
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CSc1ncc(C#N)c(N)n1)N1CCOCC1
InChIInChI=1S/C15H22N6O2S/c1-15(2,21-3-5-23-6-4-21)10-19-12(22)9-24-14-18-8-11(7-16)13(17)20-14/h8H,3-6,9-10H2,1-2H3,(H,19,22)(H2,17,18,20)
InChIKeyPXOXIMBRDIYFGY-UHFFFAOYSA-N
XLogP0.25
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 37330745) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CSc1ncc(C#N)c(N)n1)N1CCOCC1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is PXOXIMBRDIYFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-15(2,21-3-5-23-6-4-21)10-19-12(22)9-24-14-18-8-11(7-16)13(17)20-14/h8H,3-6,9-10H2,1-2H3,(H,19,22)(H2,17,18,20).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 350.45 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 37330745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).