2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine

C13H23N5S — CID 80889651

IUPAC2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(SC2CCCC(C)C2)nc(N(C)C)n1
InChIInChI=1S/C13H23N5S/c1-9-6-5-7-10(8-9)19-13-16-11(14-2)15-12(17-13)18(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyYFBLOJIMHIQLGO-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.65
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80889651) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80889651
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(SC2CCCC(C)C2)nc(N(C)C)n1
InChIInChI=1S/C13H23N5S/c1-9-6-5-7-10(8-9)19-13-16-11(14-2)15-12(17-13)18(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyYFBLOJIMHIQLGO-UHFFFAOYSA-N
XLogP2.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.65
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,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 80889651) is 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine is CNc1nc(SC2CCCC(C)C2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YFBLOJIMHIQLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-9-6-5-7-10(8-9)19-13-16-11(14-2)15-12(17-13)18(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80889651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).