2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol

C13H22ClN5O — CID 102865899

IUPAC2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
SMILESCCN(CC)c1nc(Cl)nc(N(CCO)C2CCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-18(4-2)12-15-11(14)16-13(17-12)19(8-9-20)10-6-5-7-10/h10,20H,3-9H2,1-2H3
InChIKeyVCPHKLCGKLBOEV-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.72
Rot. Bonds7

About 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol

2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol (PubChem CID 102865899) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
PubChem CID102865899
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
SMILESCCN(CC)c1nc(Cl)nc(N(CCO)C2CCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-18(4-2)12-15-11(14)16-13(17-12)19(8-9-20)10-6-5-7-10/h10,20H,3-9H2,1-2H3
InChIKeyVCPHKLCGKLBOEV-UHFFFAOYSA-N
XLogP1.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol (CID 102865899) is 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol is CCN(CC)c1nc(Cl)nc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol?
The InChIKey is VCPHKLCGKLBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-18(4-2)12-15-11(14)16-13(17-12)19(8-9-20)10-6-5-7-10/h10,20H,3-9H2,1-2H3.
What are the key properties of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol?
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol has a molecular weight of 299.81 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102865899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).