4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine

C12H20N4OS — CID 80889317

IUPAC4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-8-5-4-6-9(7-8)18-12-15-10(13-2)14-11(16-12)17-3/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyLDTIAHPDKOWNEN-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.59
Rot. Bonds4

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

4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80889317) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80889317
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-8-5-4-6-9(7-8)18-12-15-10(13-2)14-11(16-12)17-3/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyLDTIAHPDKOWNEN-UHFFFAOYSA-N
XLogP2.59
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (CID 80889317) is 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(SC2CCCC(C)C2)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is LDTIAHPDKOWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-5-4-6-9(7-8)18-12-15-10(13-2)14-11(16-12)17-3/h8-9H,4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 268.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).