2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine

C13H17N5S — CID 23009042

IUPAC2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2ccccc2)n1
InChIInChI=1S/C13H17N5S/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyJHONOWXXNCEZJZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.45
Rot. Bonds5

About 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 23009042) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID23009042
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2ccccc2)n1
InChIInChI=1S/C13H17N5S/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyJHONOWXXNCEZJZ-UHFFFAOYSA-N
XLogP2.45
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine (CID 23009042) is 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2ccccc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JHONOWXXNCEZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23009042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).