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

C12H20ClN5O — CID 64911707

IUPAC2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCN(C)c1nc(Cl)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)12-16-10(13)15-11(17-12)14-7-8-5-3-4-6-9(8)19/h8-9,19H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyWASAYSXEAUCUNI-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.55
Rot. Bonds4

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

2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 64911707) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID64911707
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCN(C)c1nc(Cl)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)12-16-10(13)15-11(17-12)14-7-8-5-3-4-6-9(8)19/h8-9,19H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyWASAYSXEAUCUNI-UHFFFAOYSA-N
XLogP1.55
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 64911707) is 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CN(C)c1nc(Cl)nc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is WASAYSXEAUCUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-18(2)12-16-10(13)15-11(17-12)14-7-8-5-3-4-6-9(8)19/h8-9,19H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 285.78 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).