3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

C11H17N3O2 — CID 106099560

IUPAC3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccncc1N
InChIInChI=1S/C11H17N3O2/c1-8-11(15,3-5-16-8)7-14-10-2-4-13-6-9(10)12/h2,4,6,8,15H,3,5,7,12H2,1H3,(H,13,14)
InChIKeyLJAYLWQYQGJKNO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.62
Rot. Bonds3

About 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106099560) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106099560
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccncc1N
InChIInChI=1S/C11H17N3O2/c1-8-11(15,3-5-16-8)7-14-10-2-4-13-6-9(10)12/h2,4,6,8,15H,3,5,7,12H2,1H3,(H,13,14)
InChIKeyLJAYLWQYQGJKNO-UHFFFAOYSA-N
XLogP0.62
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631
3-[(2-amino-4-iodoanilino)methyl]-2-methyloxolan-3-ol
CID 114143311
1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115399
3-[(2-amino-4,5-difluoroanilino)methyl]-2-methyloxolan-3-ol
CID 112751875
3-[[(8-amino-3-methylisoquinolin-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099688
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106099652
3-[(2-amino-4-bromo-5-fluoroanilino)methyl]-2-methyloxolan-3-ol
CID 106099664
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099717
3-[[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099606

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (CID 106099560) is 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ccncc1N.
What is the InChIKey of 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is LJAYLWQYQGJKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-11(15,3-5-16-8)7-14-10-2-4-13-6-9(10)12/h2,4,6,8,15H,3,5,7,12H2,1H3,(H,13,14).
What are the key properties of 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 223.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106099560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).