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

C12H20N4O3 — CID 65110843

IUPAC1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-18-10-14-9(15-11(16-10)19-2)13-8-12(17)6-4-3-5-7-12/h17H,3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyBLPCLDKRPCELDE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.00
Rot. Bonds5

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

1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65110843) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65110843
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-18-10-14-9(15-11(16-10)19-2)13-8-12(17)6-4-3-5-7-12/h17H,3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyBLPCLDKRPCELDE-UHFFFAOYSA-N
XLogP1.00
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.00
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]cyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65110843) is 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is COc1nc(NCC2(O)CCCCC2)nc(OC)n1.
What is the InChIKey of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is BLPCLDKRPCELDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-10-14-9(15-11(16-10)19-2)13-8-12(17)6-4-3-5-7-12/h17H,3-8H2,1-2H3,(H,13,14,15,16).
What are the key properties of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 1.00, 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]cyclohexan-1-ol is sourced from PubChem (CID 65110843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).