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

C11H18N4OS — CID 80889318

IUPAC4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C11H18N4OS/c1-7-4-3-5-8(6-7)17-11-14-9(12)13-10(15-11)16-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyOZHXYVIVPHUUOU-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.13
Rot. Bonds3

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

4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80889318) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80889318
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C11H18N4OS/c1-7-4-3-5-8(6-7)17-11-14-9(12)13-10(15-11)16-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyOZHXYVIVPHUUOU-UHFFFAOYSA-N
XLogP2.13
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine (CID 80889318) is 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is COc1nc(N)nc(SC2CCCC(C)C2)n1.
What is the InChIKey of 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is OZHXYVIVPHUUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-4-3-5-8(6-7)17-11-14-9(12)13-10(15-11)16-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine?
4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).