1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

C13H22N4O3 — CID 65118289

IUPAC1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCCC(C)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O3/c1-9-5-4-6-13(18,7-9)8-14-10-15-11(19-2)17-12(16-10)20-3/h9,18H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeySTCRQVUCCOZACM-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.24
Rot. Bonds5

About 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65118289) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65118289
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCCC(C)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O3/c1-9-5-4-6-13(18,7-9)8-14-10-15-11(19-2)17-12(16-10)20-3/h9,18H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeySTCRQVUCCOZACM-UHFFFAOYSA-N
XLogP1.24
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65118289) is 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is COc1nc(NCC2(O)CCCC(C)C2)nc(OC)n1.
What is the InChIKey of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is STCRQVUCCOZACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9-5-4-6-13(18,7-9)8-14-10-15-11(19-2)17-12(16-10)20-3/h9,18H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 282.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65118289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).