2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C16H32N6S — CID 21437125

IUPAC2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CN(CC(C)C)c1nc(NC(C)C)nc(SC)n1
InChIInChI=1S/C16H32N6S/c1-8-21(9-2)11-22(10-12(3)4)15-18-14(17-13(5)6)19-16(20-15)23-7/h12-13H,8-11H2,1-7H3,(H,17,18,19,20)
InChIKeyKOWMVTGXVZOPKO-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.18
Rot. Bonds10

About 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 21437125) has the molecular formula C16H32N6S and a molecular weight of 340.54 g/mol. Its IUPAC name is 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID21437125
Molecular FormulaC16H32N6S
Molecular Weight340.54 g/mol
Exact Mass340.24
IUPAC Name2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CN(CC(C)C)c1nc(NC(C)C)nc(SC)n1
InChIInChI=1S/C16H32N6S/c1-8-21(9-2)11-22(10-12(3)4)15-18-14(17-13(5)6)19-16(20-15)23-7/h12-13H,8-11H2,1-7H3,(H,17,18,19,20)
InChIKeyKOWMVTGXVZOPKO-UHFFFAOYSA-N
XLogP3.18
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 21437125) is 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCN(CC)CN(CC(C)C)c1nc(NC(C)C)nc(SC)n1.
What is the InChIKey of 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KOWMVTGXVZOPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6S/c1-8-21(9-2)11-22(10-12(3)4)15-18-14(17-13(5)6)19-16(20-15)23-7/h12-13H,8-11H2,1-7H3,(H,17,18,19,20).
What are the key properties of 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 340.54 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(diethylaminomethyl)-2-N-(2-methylpropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21437125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).