N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane

C10H20N4S — CID 145028954

IUPACN,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane
SMILESCC.CCCSc1nc(C)nc(NC)n1
InChIInChI=1S/C8H14N4S.C2H6/c1-4-5-13-8-11-6(2)10-7(9-3)12-8;1-2/h4-5H2,1-3H3,(H,9,10,11,12);1-2H3
InChIKeyLTYPAJYSQVSCPD-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.75
Rot. Bonds4

About N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane

N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane (PubChem CID 145028954) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane.

Molecular Properties

Compound NameN,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane
PubChem CID145028954
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane
SMILESCC.CCCSc1nc(C)nc(NC)n1
InChIInChI=1S/C8H14N4S.C2H6/c1-4-5-13-8-11-6(2)10-7(9-3)12-8;1-2/h4-5H2,1-3H3,(H,9,10,11,12);1-2H3
InChIKeyLTYPAJYSQVSCPD-UHFFFAOYSA-N
XLogP2.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.75
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-propylsulfanyl-1,3,5-triazin-2-amine;ethane?
The IUPAC name of N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane (CID 145028954) is N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane.
What is the SMILES notation for N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane?
The canonical SMILES for N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane is CC.CCCSc1nc(C)nc(NC)n1.
What is the InChIKey of N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane?
The InChIKey is LTYPAJYSQVSCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S.C2H6/c1-4-5-13-8-11-6(2)10-7(9-3)12-8;1-2/h4-5H2,1-3H3,(H,9,10,11,12);1-2H3.
What are the key properties of N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane?
N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane has a molecular weight of 228.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane is sourced from PubChem (CID 145028954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).