2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol

C6H12N6O — CID 19821122

IUPAC2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol
SMILESNc1nc(N)c(N)c(NCCO)n1
InChIInChI=1S/C6H12N6O/c7-3-4(8)11-6(9)12-5(3)10-1-2-13/h13H,1-2,7H2,(H5,8,9,10,11,12)
InChIKeyWRPDHMGXFGCCPT-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.37
Rot. Bonds3

About 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol

2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol (PubChem CID 19821122) has the molecular formula C6H12N6O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol
PubChem CID19821122
Molecular FormulaC6H12N6O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol
SMILESNc1nc(N)c(N)c(NCCO)n1
InChIInChI=1S/C6H12N6O/c7-3-4(8)11-6(9)12-5(3)10-1-2-13/h13H,1-2,7H2,(H5,8,9,10,11,12)
InChIKeyWRPDHMGXFGCCPT-UHFFFAOYSA-N
XLogP-1.37
TPSA136.10 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol (CID 19821122) is 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol is Nc1nc(N)c(N)c(NCCO)n1.
What is the InChIKey of 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol?
The InChIKey is WRPDHMGXFGCCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O/c7-3-4(8)11-6(9)12-5(3)10-1-2-13/h13H,1-2,7H2,(H5,8,9,10,11,12).
What are the key properties of 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol?
2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol has a molecular weight of 184.20 g/mol, XLogP of -1.37, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 19821122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).