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

C13H22ClN5O — CID 80811349

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
SMILESCCNc1nc(Cl)nc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-2-15-12-16-11(14)17-13(18-12)19(8-9-20)10-6-4-3-5-7-10/h10,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyLGCSDJBWCCCKJF-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.09
Rot. Bonds6

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

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol (PubChem CID 80811349) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
PubChem CID80811349
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
SMILESCCNc1nc(Cl)nc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-2-15-12-16-11(14)17-13(18-12)19(8-9-20)10-6-4-3-5-7-10/h10,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyLGCSDJBWCCCKJF-UHFFFAOYSA-N
XLogP2.09
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
CID 102865899
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
CID 80811147
6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865890
6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838063
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640215
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865870
6-chloro-2-N-cyclopropyl-2-N-(3-methylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820771
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol (CID 80811349) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol is CCNc1nc(Cl)nc(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol?
The InChIKey is LGCSDJBWCCCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-2-15-12-16-11(14)17-13(18-12)19(8-9-20)10-6-4-3-5-7-10/h10,20H,2-9H2,1H3,(H,15,16,17,18).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol has a molecular weight of 299.81 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol is sourced from PubChem (CID 80811349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).