1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol

C15H27N5O2 — CID 67592285

IUPAC1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(NCC(C)O)nc(C2CCCCC2)n1
InChIInChI=1S/C15H27N5O2/c1-10(21)8-16-14-18-13(12-6-4-3-5-7-12)19-15(20-14)17-9-11(2)22/h10-12,21-22H,3-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDKINSMJSGVIQFJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.50
Rot. Bonds7

About 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol

1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 67592285) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID67592285
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(NCC(C)O)nc(C2CCCCC2)n1
InChIInChI=1S/C15H27N5O2/c1-10(21)8-16-14-18-13(12-6-4-3-5-7-12)19-15(20-14)17-9-11(2)22/h10-12,21-22H,3-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDKINSMJSGVIQFJ-UHFFFAOYSA-N
XLogP1.50
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 67592285) is 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(O)CNc1nc(NCC(C)O)nc(C2CCCCC2)n1.
What is the InChIKey of 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is DKINSMJSGVIQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-10(21)8-16-14-18-13(12-6-4-3-5-7-12)19-15(20-14)17-9-11(2)22/h10-12,21-22H,3-9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 67592285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).