2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide

C16H22N6OS — CID 3155206

IUPAC2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C16H22N6OS/c1-5-17-14-19-15(22(3)4)21-16(20-14)24-11(2)13(23)18-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,18,23)(H,17,19,20,21)
InChIKeyIDQYDMZUGLSWKW-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.49
Rot. Bonds7

About 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide

2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 3155206) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID3155206
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C16H22N6OS/c1-5-17-14-19-15(22(3)4)21-16(20-14)24-11(2)13(23)18-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,18,23)(H,17,19,20,21)
InChIKeyIDQYDMZUGLSWKW-UHFFFAOYSA-N
XLogP2.49
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (CID 3155206) is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is CCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is IDQYDMZUGLSWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-5-17-14-19-15(22(3)4)21-16(20-14)24-11(2)13(23)18-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,18,23)(H,17,19,20,21).
What are the key properties of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 346.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 3155206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).