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

C17H24N6OS — CID 3155205

IUPAC2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCC(C)Nc1nc(SC(C)C(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C17H24N6OS/c1-11(2)18-15-20-16(23(4)5)22-17(21-15)25-12(3)14(24)19-13-9-7-6-8-10-13/h6-12H,1-5H3,(H,19,24)(H,18,20,21,22)
InChIKeyMOIKEUPMHVSPFZ-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.88
Rot. Bonds7

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

2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 3155205) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID3155205
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCC(C)Nc1nc(SC(C)C(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C17H24N6OS/c1-11(2)18-15-20-16(23(4)5)22-17(21-15)25-12(3)14(24)19-13-9-7-6-8-10-13/h6-12H,1-5H3,(H,19,24)(H,18,20,21,22)
InChIKeyMOIKEUPMHVSPFZ-UHFFFAOYSA-N
XLogP2.88
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.88
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-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (CID 3155205) is 2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is CC(C)Nc1nc(SC(C)C(=O)Nc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is MOIKEUPMHVSPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-11(2)18-15-20-16(23(4)5)22-17(21-15)25-12(3)14(24)19-13-9-7-6-8-10-13/h6-12H,1-5H3,(H,19,24)(H,18,20,21,22).
What are the key properties of 2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 360.49 g/mol, XLogP of 2.88, 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-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 3155205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).