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

C12H19ClN4S — CID 80889227

IUPAC4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C12H19ClN4S/c1-3-14-11-15-10(13)16-12(17-11)18-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyVLXSVFFNMFPBLP-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.63
Rot. Bonds4

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

4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80889227) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80889227
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C12H19ClN4S/c1-3-14-11-15-10(13)16-12(17-11)18-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyVLXSVFFNMFPBLP-UHFFFAOYSA-N
XLogP3.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (CID 80889227) is 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(SC2CCCC(C)C2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is VLXSVFFNMFPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c1-3-14-11-15-10(13)16-12(17-11)18-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 286.83 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).