3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol

C15H25N3O3 — CID 106099652

IUPAC3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-10-15(19,7-8-20-10)9-17-12-6-5-11(16)13(18-12)21-14(2,3)4/h5-6,10,19H,7-9,16H2,1-4H3,(H,17,18)
InChIKeyXGACKWYSYVTCOJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.79
Rot. Bonds4

About 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol

3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106099652) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
PubChem CID106099652
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-10-15(19,7-8-20-10)9-17-12-6-5-11(16)13(18-12)21-14(2,3)4/h5-6,10,19H,7-9,16H2,1-4H3,(H,17,18)
InChIKeyXGACKWYSYVTCOJ-UHFFFAOYSA-N
XLogP1.79
TPSA89.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

[1-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]cyclopropyl]methanol
CID 115454120
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143627
3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269638
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 106099560
[4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]oxan-4-yl]methanol
CID 106296884
3-[(2-amino-4-iodoanilino)methyl]-2-methyloxolan-3-ol
CID 114143311
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114143620
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103480

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol (CID 106099652) is 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is XGACKWYSYVTCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-15(19,7-8-20-10)9-17-12-6-5-11(16)13(18-12)21-14(2,3)4/h5-6,10,19H,7-9,16H2,1-4H3,(H,17,18).
What are the key properties of 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol?
3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 295.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106099652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).