4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine

C10H18N4S — CID 65129789

IUPAC4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCSCc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C10H18N4S/c1-5-15-6-7-12-8(10(2,3)4)14-9(11)13-7/h5-6H2,1-4H3,(H2,11,12,13,14)
InChIKeyCLLSTEVPCDXISO-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.00
Rot. Bonds3

About 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 65129789) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID65129789
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCSCc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C10H18N4S/c1-5-15-6-7-12-8(10(2,3)4)14-9(11)13-7/h5-6H2,1-4H3,(H2,11,12,13,14)
InChIKeyCLLSTEVPCDXISO-UHFFFAOYSA-N
XLogP2.00
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 65129789) is 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine is CCSCc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is CLLSTEVPCDXISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-5-15-6-7-12-8(10(2,3)4)14-9(11)13-7/h5-6H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 226.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65129789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).