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

C13H23N5O2 — CID 3073351

IUPAC2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCc1nc(NC2CC2)nc(N(CCO)CCO)n1
InChIInChI=1S/C13H23N5O2/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18(6-8-19)7-9-20/h10,19-20H,2-9H2,1H3,(H,14,15,16,17)
InChIKeyFFJRCVWUKCVNBS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.19
Rot. Bonds9

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

2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 3073351) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID3073351
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCc1nc(NC2CC2)nc(N(CCO)CCO)n1
InChIInChI=1S/C13H23N5O2/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18(6-8-19)7-9-20/h10,19-20H,2-9H2,1H3,(H,14,15,16,17)
InChIKeyFFJRCVWUKCVNBS-UHFFFAOYSA-N
XLogP0.19
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 3073351) is 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is CCCc1nc(NC2CC2)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is FFJRCVWUKCVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18(6-8-19)7-9-20/h10,19-20H,2-9H2,1H3,(H,14,15,16,17).
What are the key properties of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 281.36 g/mol, XLogP of 0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 3073351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).