N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine

C10H18N4S — CID 144997179

IUPACN,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(C)nc(SCCC(C)C)n1
InChIInChI=1S/C10H18N4S/c1-7(2)5-6-15-10-13-8(3)12-9(11-4)14-10/h7H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyNYBJIAVUHPUUKZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.36
Rot. Bonds5

About N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine

N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 144997179) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID144997179
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(C)nc(SCCC(C)C)n1
InChIInChI=1S/C10H18N4S/c1-7(2)5-6-15-10-13-8(3)12-9(11-4)14-10/h7H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyNYBJIAVUHPUUKZ-UHFFFAOYSA-N
XLogP2.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine (CID 144997179) is N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine is CNc1nc(C)nc(SCCC(C)C)n1.
What is the InChIKey of N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is NYBJIAVUHPUUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7(2)5-6-15-10-13-8(3)12-9(11-4)14-10/h7H,5-6H2,1-4H3,(H,11,12,13,14).
What are the key properties of N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 226.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 144997179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).