2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C11H21N5S — CID 15560365

IUPAC2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC(C)C)nc(SC)n1
InChIInChI=1S/C11H21N5S/c1-6-16(7-2)10-13-9(12-8(3)4)14-11(15-10)17-5/h8H,6-7H2,1-5H3,(H,12,13,14,15)
InChIKeyFBDMYJPSVPJKGZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.26
Rot. Bonds6

About 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 15560365) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID15560365
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC(C)C)nc(SC)n1
InChIInChI=1S/C11H21N5S/c1-6-16(7-2)10-13-9(12-8(3)4)14-11(15-10)17-5/h8H,6-7H2,1-5H3,(H,12,13,14,15)
InChIKeyFBDMYJPSVPJKGZ-UHFFFAOYSA-N
XLogP2.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.26
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-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 15560365) is 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NC(C)C)nc(SC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FBDMYJPSVPJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-6-16(7-2)10-13-9(12-8(3)4)14-11(15-10)17-5/h8H,6-7H2,1-5H3,(H,12,13,14,15).
What are the key properties of 2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 255.39 g/mol, XLogP of 2.26, 6 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-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15560365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).