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

C13H23N5S — CID 110172792

IUPAC2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCCC2)nc(SC(C)C)n1
InChIInChI=1S/C13H23N5S/c1-9(2)19-13-17-11(14-3)16-12(18-13)15-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyYLBVWUHAEXTNKJ-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.16
Rot. Bonds5

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

2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 110172792) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID110172792
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCCC2)nc(SC(C)C)n1
InChIInChI=1S/C13H23N5S/c1-9(2)19-13-17-11(14-3)16-12(18-13)15-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyYLBVWUHAEXTNKJ-UHFFFAOYSA-N
XLogP3.16
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Dipropetryn
CID 20105
Ethylthio-4-methylamino-6-isopropylamino-s-triazine
CID 3488386
1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylpropyl)-6-(methylthio)-
CID 13270
N-Cyclopentyl-N'-methyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
CID 11970861
N-Cyclopentyl-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
CID 11970863
6-(Butylsulfanyl)-N~2~,N~4~-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 305793
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1-methylethyl)-N'-pentyl-
CID 190524
1,3,5-Triazine-2,4-diamine, N-cyclohexyl-6-((difluoromethyl)thio)-N'-(1-methylethyl)-
CID 190532
2-N-cyclohexyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 14651817
N2-Cyclohexyl-6-((trifluoromethyl)thio)-1,3,5-triazine-2,4-diamine
CID 25220464
2-[[4-(Ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetonitrile
CID 35133
6-butylsulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 426848

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine (CID 110172792) is 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCCCC2)nc(SC(C)C)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YLBVWUHAEXTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-9(2)19-13-17-11(14-3)16-12(18-13)15-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 110172792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).