4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine

C12H20N4O2 — CID 19832808

IUPAC4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2(C)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H20N4O2/c1-12(7-5-4-6-8-12)16-9-13-10(17-2)15-11(14-9)18-3/h4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyKNSWPYVTYKLBAQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.02
Rot. Bonds4

About 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 19832808) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID19832808
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2(C)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H20N4O2/c1-12(7-5-4-6-8-12)16-9-13-10(17-2)15-11(14-9)18-3/h4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyKNSWPYVTYKLBAQ-UHFFFAOYSA-N
XLogP2.02
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine (CID 19832808) is 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine is COc1nc(NC2(C)CCCCC2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is KNSWPYVTYKLBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(7-5-4-6-8-12)16-9-13-10(17-2)15-11(14-9)18-3/h4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19832808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).