4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine

C12H19ClN4S — CID 55125428

IUPAC4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCC1CCCC(Sc2nc(Cl)nc(N(C)C)n2)C1
InChIInChI=1S/C12H19ClN4S/c1-8-5-4-6-9(7-8)18-12-15-10(13)14-11(16-12)17(2)3/h8-9H,4-7H2,1-3H3
InChIKeyWIVAUHSYIDUZRL-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.26
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 55125428) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID55125428
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCC1CCCC(Sc2nc(Cl)nc(N(C)C)n2)C1
InChIInChI=1S/C12H19ClN4S/c1-8-5-4-6-9(7-8)18-12-15-10(13)14-11(16-12)17(2)3/h8-9H,4-7H2,1-3H3
InChIKeyWIVAUHSYIDUZRL-UHFFFAOYSA-N
XLogP3.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (CID 55125428) is 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is CC1CCCC(Sc2nc(Cl)nc(N(C)C)n2)C1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is WIVAUHSYIDUZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c1-8-5-4-6-9(7-8)18-12-15-10(13)14-11(16-12)17(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 286.83 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).