2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H21N5S — CID 110172779

IUPAC2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCSc1nc(NC)nc(NC2CCCCC2)n1
InChIInChI=1S/C12H21N5S/c1-3-18-12-16-10(13-2)15-11(17-12)14-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyQSHFQLUCKDRWSJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.77
Rot. Bonds5

About 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 110172779) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID110172779
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCSc1nc(NC)nc(NC2CCCCC2)n1
InChIInChI=1S/C12H21N5S/c1-3-18-12-16-10(13-2)15-11(17-12)14-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyQSHFQLUCKDRWSJ-UHFFFAOYSA-N
XLogP2.77
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 110172779) is 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine is CCSc1nc(NC)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QSHFQLUCKDRWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-3-18-12-16-10(13-2)15-11(17-12)14-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 110172779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).