[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol

C11H16ClN3O2 — CID 114169989

IUPAC[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESNc1cc(Cl)nc(NC2(CO)CCOCC2)c1
InChIInChI=1S/C11H16ClN3O2/c12-9-5-8(13)6-10(14-9)15-11(7-16)1-3-17-4-2-11/h5-6,16H,1-4,7H2,(H3,13,14,15)
InChIKeyBEGGYVIWFOBKIE-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.27
Rot. Bonds3

About [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol

[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol (PubChem CID 114169989) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
PubChem CID114169989
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
SMILESNc1cc(Cl)nc(NC2(CO)CCOCC2)c1
InChIInChI=1S/C11H16ClN3O2/c12-9-5-8(13)6-10(14-9)15-11(7-16)1-3-17-4-2-11/h5-6,16H,1-4,7H2,(H3,13,14,15)
InChIKeyBEGGYVIWFOBKIE-UHFFFAOYSA-N
XLogP1.27
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106296826
[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301120
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106301141
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
[4-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301181
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
[4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]oxan-4-yl]methanol
CID 106296858
[4-(2-amino-5-chloro-4-fluoroanilino)oxan-4-yl]methanol
CID 114169985
4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106296782

Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol (CID 114169989) is [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol is Nc1cc(Cl)nc(NC2(CO)CCOCC2)c1.
What is the InChIKey of [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol?
The InChIKey is BEGGYVIWFOBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-9-5-8(13)6-10(14-9)15-11(7-16)1-3-17-4-2-11/h5-6,16H,1-4,7H2,(H3,13,14,15).
What are the key properties of [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol?
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol has a molecular weight of 257.72 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 114169989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).