4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

C17H29N5S — CID 22349770

IUPAC4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CN(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C17H29N5S/c1-23-17-20-15(19-16(18)21-17)12-22(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H2,18,19,20,21)
InChIKeyBVKVYMWMUHLPLV-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.64
Rot. Bonds5

About 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 22349770) has the molecular formula C17H29N5S and a molecular weight of 335.52 g/mol. Its IUPAC name is 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID22349770
Molecular FormulaC17H29N5S
Molecular Weight335.52 g/mol
Exact Mass335.21
IUPAC Name4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CN(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C17H29N5S/c1-23-17-20-15(19-16(18)21-17)12-22(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H2,18,19,20,21)
InChIKeyBVKVYMWMUHLPLV-UHFFFAOYSA-N
XLogP3.64
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(Cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 22349811
4-Methylsulfanyl-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3,5-triazin-2-amine
CID 69738684
6-[[cyclohexyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 86913124

Frequently Asked Questions

What is the IUPAC name of 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 22349770) is 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(CN(C2CCCCC2)C2CCCCC2)n1.
What is the InChIKey of 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is BVKVYMWMUHLPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5S/c1-23-17-20-15(19-16(18)21-17)12-22(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 335.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22349770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).