[1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol

C12H20ClN5O — CID 62865207

IUPAC[1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
SMILESCN(C)c1nc(Cl)nc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)11-15-9(13)14-10(16-11)17-12(8-19)6-4-3-5-7-12/h19H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyJGCFRSHTUZDTAI-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.70
Rot. Bonds4

About [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol

[1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol (PubChem CID 62865207) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
PubChem CID62865207
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name[1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
SMILESCN(C)c1nc(Cl)nc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-18(2)11-15-9(13)14-10(16-11)17-12(8-19)6-4-3-5-7-12/h19H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyJGCFRSHTUZDTAI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol (CID 62865207) is [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol is CN(C)c1nc(Cl)nc(NC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
The InChIKey is JGCFRSHTUZDTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-18(2)11-15-9(13)14-10(16-11)17-12(8-19)6-4-3-5-7-12/h19H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol?
[1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol has a molecular weight of 285.78 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 62865207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).