2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide

C15H18F2N6OS — CID 17412418

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide
SMILESCC(SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N6OS/c1-8(13(24)19-11-6-9(16)4-5-10(11)17)25-7-12-20-14(18)22-15(21-12)23(2)3/h4-6,8H,7H2,1-3H3,(H,19,24)(H2,18,20,21,22)
InChIKeyPPMSSSYEZXNYRJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.06
Rot. Bonds6

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide (PubChem CID 17412418) has the molecular formula C15H18F2N6OS and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide
PubChem CID17412418
Molecular FormulaC15H18F2N6OS
Molecular Weight368.41 g/mol
Exact Mass368.12
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide
SMILESCC(SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N6OS/c1-8(13(24)19-11-6-9(16)4-5-10(11)17)25-7-12-20-14(18)22-15(21-12)23(2)3/h4-6,8H,7H2,1-3H3,(H,19,24)(H2,18,20,21,22)
InChIKeyPPMSSSYEZXNYRJ-UHFFFAOYSA-N
XLogP2.06
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide (CID 17412418) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide is CC(SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide?
The InChIKey is PPMSSSYEZXNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6OS/c1-8(13(24)19-11-6-9(16)4-5-10(11)17)25-7-12-20-14(18)22-15(21-12)23(2)3/h4-6,8H,7H2,1-3H3,(H,19,24)(H2,18,20,21,22).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 17412418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).