4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine

C14H22N4S2 — CID 115389198

IUPAC4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine
SMILESCC1SCCSC1c1nc(N)nc(C2CCCCC2)n1
InChIInChI=1S/C14H22N4S2/c1-9-11(20-8-7-19-9)13-16-12(17-14(15)18-13)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3,(H2,15,16,17,18)
InChIKeyMPRHHZRVHLKHSJ-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.41
Rot. Bonds2

About 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine (PubChem CID 115389198) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine
PubChem CID115389198
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine
SMILESCC1SCCSC1c1nc(N)nc(C2CCCCC2)n1
InChIInChI=1S/C14H22N4S2/c1-9-11(20-8-7-19-9)13-16-12(17-14(15)18-13)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3,(H2,15,16,17,18)
InChIKeyMPRHHZRVHLKHSJ-UHFFFAOYSA-N
XLogP3.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine
CID 80636937
4-cyclopentyl-6-(4-propan-2-ylcyclohexyl)-1,3,5-triazin-2-amine
CID 65401606
4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557
6-cyclohexyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67217441
6-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 55251716
4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
CID 106446147
4-cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763
5-bromo-6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388594
4-cyclopentyl-6-(3-ethylcyclopentyl)-1,3,5-triazin-2-amine
CID 65404534
4-cyclopentyl-6-(1-methoxyethyl)-1,3,5-triazin-2-amine
CID 79605060
4-cycloheptyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63868369

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine (CID 115389198) is 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine is CC1SCCSC1c1nc(N)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is MPRHHZRVHLKHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-9-11(20-8-7-19-9)13-16-12(17-14(15)18-13)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 310.49 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115389198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).