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

C12H19N5O — CID 154533486

IUPAC2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1CC1c1nc(NCCO)nc(NC2CC2)n1
InChIInChI=1S/C12H19N5O/c1-7-6-9(7)10-15-11(13-4-5-18)17-12(16-10)14-8-2-3-8/h7-9,18H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyZLDPGHQRHOAHID-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.97
Rot. Bonds6

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

2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 154533486) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID154533486
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1CC1c1nc(NCCO)nc(NC2CC2)n1
InChIInChI=1S/C12H19N5O/c1-7-6-9(7)10-15-11(13-4-5-18)17-12(16-10)14-8-2-3-8/h7-9,18H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyZLDPGHQRHOAHID-UHFFFAOYSA-N
XLogP0.97
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol (CID 154533486) is 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol is CC1CC1c1nc(NCCO)nc(NC2CC2)n1.
What is the InChIKey of 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ZLDPGHQRHOAHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-6-9(7)10-15-11(13-4-5-18)17-12(16-10)14-8-2-3-8/h7-9,18H,2-6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 249.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylamino)-6-(2-methylcyclopropyl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 154533486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).