3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol

C11H19N3O3 — CID 66170948

IUPAC3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCCOc1nc(NCC(C)(O)CO)ccc1N
InChIInChI=1S/C11H19N3O3/c1-3-17-10-8(12)4-5-9(14-10)13-6-11(2,16)7-15/h4-5,15-16H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyQKKMATOIWMWVBN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.22
Rot. Bonds6

About 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol

3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol (PubChem CID 66170948) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol
PubChem CID66170948
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCCOc1nc(NCC(C)(O)CO)ccc1N
InChIInChI=1S/C11H19N3O3/c1-3-17-10-8(12)4-5-9(14-10)13-6-11(2,16)7-15/h4-5,15-16H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyQKKMATOIWMWVBN-UHFFFAOYSA-N
XLogP0.22
TPSA100.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol (CID 66170948) is 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol is CCOc1nc(NCC(C)(O)CO)ccc1N.
What is the InChIKey of 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The InChIKey is QKKMATOIWMWVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-17-10-8(12)4-5-9(14-10)13-6-11(2,16)7-15/h4-5,15-16H,3,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol has a molecular weight of 241.29 g/mol, XLogP of 0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66170948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).