2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol

C13H21N5O2 — CID 3073368

IUPAC2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(NC2CC2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O2/c19-7-5-18(6-8-20)13-16-11(9-1-2-9)15-12(17-13)14-10-3-4-10/h9-10,19-20H,1-8H2,(H,14,15,16,17)
InChIKeyIXEFVJANBSCXDS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.11
Rot. Bonds8

About 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol

2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 3073368) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID3073368
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(NC2CC2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O2/c19-7-5-18(6-8-20)13-16-11(9-1-2-9)15-12(17-13)14-10-3-4-10/h9-10,19-20H,1-8H2,(H,14,15,16,17)
InChIKeyIXEFVJANBSCXDS-UHFFFAOYSA-N
XLogP0.11
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

1,3,5-Triazin-2-amine, N,4-dicyclopropyl-6-(4-morpholinyl)-, monohydrochloride
CID 3073348
Ethanol, 2,2'-((4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)imino)bis-, monohydrochloride
CID 3073350
3-Azetidinol, 1-(4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl)-
CID 3073369
3-Azetidinol, 1-(4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)-
CID 3073371
2-Cyclopropyl-4-cyclopropylamino-6-morpholino-1,3,5-triazine
CID 3073349
2-[[4-(Cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 3073351
2-[4-[4-Amino-6-[butyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]butylamino]ethanol
CID 68410772
(2S)-2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 152420974
2-[(4-Cyclopropyl-6-ethyl-1,3,5-triazin-2-yl)amino]ethanol;ethane
CID 153632901
2-[[4-(Cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 154533486
2-[(4-Chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 154960709
2-[[4-(2-Hydroxyethylamino)-6-propyl-1,3,5-triazin-2-yl]amino]ethanol
CID 163974831

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 3073368) is 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(NC2CC2)nc(C2CC2)n1.
What is the InChIKey of 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IXEFVJANBSCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-7-5-18(6-8-20)13-16-11(9-1-2-9)15-12(17-13)14-10-3-4-10/h9-10,19-20H,1-8H2,(H,14,15,16,17).
What are the key properties of 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 279.34 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 3073368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).