[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol

C11H17N3O2 — CID 106296826

IUPAC[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESNc1ccc(NC2(CO)CCOCC2)nc1
InChIInChI=1S/C11H17N3O2/c12-9-1-2-10(13-7-9)14-11(8-15)3-5-16-6-4-11/h1-2,7,15H,3-6,8,12H2,(H,13,14)
InChIKeyRNEPDGVNLLVENU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.62
Rot. Bonds3

About [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol

[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol (PubChem CID 106296826) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
PubChem CID106296826
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESNc1ccc(NC2(CO)CCOCC2)nc1
InChIInChI=1S/C11H17N3O2/c12-9-1-2-10(13-7-9)14-11(8-15)3-5-16-6-4-11/h1-2,7,15H,3-6,8,12H2,(H,13,14)
InChIKeyRNEPDGVNLLVENU-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

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Related Compounds

[1-[(5-amino-2-pyridinyl)amino]cyclopentyl]methanol
CID 62523964
[4-[(5-fluoro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106299751
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
[4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]oxan-4-yl]methanol
CID 106296858
[4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]oxan-4-yl]methanol
CID 106296884
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
[4-(2-aminoanilino)oxan-4-yl]methanol
CID 106296850
[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301120
[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
CID 114169972
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol (CID 106296826) is [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol is Nc1ccc(NC2(CO)CCOCC2)nc1.
What is the InChIKey of [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol?
The InChIKey is RNEPDGVNLLVENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-9-1-2-10(13-7-9)14-11(8-15)3-5-16-6-4-11/h1-2,7,15H,3-6,8,12H2,(H,13,14).
What are the key properties of [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol?
[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol 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 [4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106296826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).