[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol

C12H18ClN3O2 — CID 114776247

IUPAC[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2nc(Cl)ccc2N)CC(CO)O1
InChIInChI=1S/C12H18ClN3O2/c1-12(2)7-16(5-8(6-17)18-12)11-9(14)3-4-10(13)15-11/h3-4,8,17H,5-7,14H2,1-2H3
InChIKeyHCQWPSWZFWIMKL-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.29
Rot. Bonds2

About [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776247) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776247
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2nc(Cl)ccc2N)CC(CO)O1
InChIInChI=1S/C12H18ClN3O2/c1-12(2)7-16(5-8(6-17)18-12)11-9(14)3-4-10(13)15-11/h3-4,8,17H,5-7,14H2,1-2H3
InChIKeyHCQWPSWZFWIMKL-UHFFFAOYSA-N
XLogP1.29
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114070637
[4-(2-amino-5-fluoropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782748
[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777898
[4-(6-aminoquinolin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776187
[4-(6-amino-5-propan-2-ylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782706
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbothioamide
CID 114776973
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 114777093
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306
[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776448
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114776247) is [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2nc(Cl)ccc2N)CC(CO)O1.
What is the InChIKey of [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is HCQWPSWZFWIMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-12(2)7-16(5-8(6-17)18-12)11-9(14)3-4-10(13)15-11/h3-4,8,17H,5-7,14H2,1-2H3.
What are the key properties of [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 271.75 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).