2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol

C15H20N6O2 — CID 23648024

IUPAC2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol
SMILESOCCNc1nc(Nc2ccccc2O)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6O2/c22-10-7-16-13-18-14(17-11-5-1-2-6-12(11)23)20-15(19-13)21-8-3-4-9-21/h1-2,5-6,22-23H,3-4,7-10H2,(H2,16,17,18,19,20)
InChIKeyHPGFONOOSSVFJJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.33
Rot. Bonds6

About 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol

2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 23648024) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol
PubChem CID23648024
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol
SMILESOCCNc1nc(Nc2ccccc2O)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6O2/c22-10-7-16-13-18-14(17-11-5-1-2-6-12(11)23)20-15(19-13)21-8-3-4-9-21/h1-2,5-6,22-23H,3-4,7-10H2,(H2,16,17,18,19,20)
InChIKeyHPGFONOOSSVFJJ-UHFFFAOYSA-N
XLogP1.33
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol (CID 23648024) is 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol is OCCNc1nc(Nc2ccccc2O)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is HPGFONOOSSVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c22-10-7-16-13-18-14(17-11-5-1-2-6-12(11)23)20-15(19-13)21-8-3-4-9-21/h1-2,5-6,22-23H,3-4,7-10H2,(H2,16,17,18,19,20).
What are the key properties of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 316.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 23648024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).