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

C16H20N6O2S — CID 1172310

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C16H20N6O2S/c17-13-9-14(18)21-16(20-13)25-10-15(23)19-11-3-1-2-4-12(11)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,19,23)(H4,17,18,20,21)
InChIKeyFKEGBBNKHRTWDD-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.21
Rot. Bonds5

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1172310) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1172310
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C16H20N6O2S/c17-13-9-14(18)21-16(20-13)25-10-15(23)19-11-3-1-2-4-12(11)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,19,23)(H4,17,18,20,21)
InChIKeyFKEGBBNKHRTWDD-UHFFFAOYSA-N
XLogP1.21
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 1172310) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Nc1cc(N)nc(SCC(=O)Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is FKEGBBNKHRTWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c17-13-9-14(18)21-16(20-13)25-10-15(23)19-11-3-1-2-4-12(11)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,19,23)(H4,17,18,20,21).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1172310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).