2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol

C13H23N5O2 — CID 102875727

IUPAC2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCNc1nc(OC)nc(N(CCO)C2CCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-7-14-11-15-12(17-13(16-11)20-2)18(8-9-19)10-5-4-6-10/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyHKXFKXNNWNLXFW-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.05
Rot. Bonds8

About 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 102875727) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID102875727
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCNc1nc(OC)nc(N(CCO)C2CCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-7-14-11-15-12(17-13(16-11)20-2)18(8-9-19)10-5-4-6-10/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyHKXFKXNNWNLXFW-UHFFFAOYSA-N
XLogP1.05
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 102875727) is 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol is CCCNc1nc(OC)nc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is HKXFKXNNWNLXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-7-14-11-15-12(17-13(16-11)20-2)18(8-9-19)10-5-4-6-10/h10,19H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 281.36 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 102875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).