3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

C13H20N2O3 — CID 106102487

IUPAC3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCOc1cnc(C)cc1NCC1(O)CCOC1C
InChIInChI=1S/C13H20N2O3/c1-9-6-11(12(17-3)7-14-9)15-8-13(16)4-5-18-10(13)2/h6-7,10,16H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyVFFBJDJONYQYDG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.35
Rot. Bonds4

About 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106102487) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106102487
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCOc1cnc(C)cc1NCC1(O)CCOC1C
InChIInChI=1S/C13H20N2O3/c1-9-6-11(12(17-3)7-14-9)15-8-13(16)4-5-18-10(13)2/h6-7,10,16H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyVFFBJDJONYQYDG-UHFFFAOYSA-N
XLogP1.35
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(5-methoxy-2-methyl-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-[[(8-amino-3-methylisoquinolin-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099688
[1-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 106660625
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102448
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 106099560
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
3-[(2-amino-4-bromo-5-fluoroanilino)methyl]-2-methyloxolan-3-ol
CID 106099664
2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol
CID 106103441

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (CID 106102487) is 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is COc1cnc(C)cc1NCC1(O)CCOC1C.
What is the InChIKey of 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is VFFBJDJONYQYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-6-11(12(17-3)7-14-9)15-8-13(16)4-5-18-10(13)2/h6-7,10,16H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 252.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106102487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).