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

C12H24N6O — CID 80796567

IUPAC2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NCC)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-5-7-18(8-9-19)12-15-10(13-6-2)14-11(16-12)17(3)4/h19H,5-9H2,1-4H3,(H,13,14,15,16)
InChIKeyVJHYAOHANMOVIZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.58
Rot. Bonds8

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

2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol (PubChem CID 80796567) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol
PubChem CID80796567
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NCC)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-5-7-18(8-9-19)12-15-10(13-6-2)14-11(16-12)17(3)4/h19H,5-9H2,1-4H3,(H,13,14,15,16)
InChIKeyVJHYAOHANMOVIZ-UHFFFAOYSA-N
XLogP0.58
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80788672
2-N-ethyl-4-N,4-N-dimethyl-2-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 80774261
2-[[4-amino-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 68587317
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793
2-[[4-[bis(2-hydroxyethyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 167346558
2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80773692
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 19816358
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
2-N-ethyl-6-hydrazinyl-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80944127
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol?
The IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol (CID 80796567) is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol is CCCN(CCO)c1nc(NCC)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol?
The InChIKey is VJHYAOHANMOVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-5-7-18(8-9-19)12-15-10(13-6-2)14-11(16-12)17(3)4/h19H,5-9H2,1-4H3,(H,13,14,15,16).
What are the key properties of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol?
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol has a molecular weight of 268.36 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol is sourced from PubChem (CID 80796567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).