6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol

C11H18N2O2 — CID 71622514

IUPAC6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(NCCCO)c(C)c(C)c1O
InChIInChI=1S/C11H18N2O2/c1-7-8(2)11(12-5-4-6-14)13-9(3)10(7)15/h14-15H,4-6H2,1-3H3,(H,12,13)
InChIKeyDABAQIZZIMBIPH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.51
Rot. Bonds4

About 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol

6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol (PubChem CID 71622514) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol.

Molecular Properties

Compound Name6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol
PubChem CID71622514
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(NCCCO)c(C)c(C)c1O
InChIInChI=1S/C11H18N2O2/c1-7-8(2)11(12-5-4-6-14)13-9(3)10(7)15/h14-15H,4-6H2,1-3H3,(H,12,13)
InChIKeyDABAQIZZIMBIPH-UHFFFAOYSA-N
XLogP1.51
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Dimethylamino)-2-(10-hydroxydecyl)-4,5-dimethylpyridin-3-ol
CID 66553750
6-Amino-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
CID 66553675
6-hydroxy-5,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 72164894
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)acetamide
CID 86271984
1H-Pyrrolo[2,3-b]pyridin-5-ol, 2,3-dihydro-1,4,6-trimethyl-
CID 10877701
6-(Azetidin-1-yl)-2-hexadecyl-4,5-dimethylpyridin-3-ol
CID 101902802
6-(Azetidin-1-yl)-4-hexadecyl-2,5-dimethylpyridin-3-ol
CID 101902803
6-(Dimethylamino)-4-hexadecyl-2,5-dimethylpyridin-3-ol
CID 118711801
6-(Dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol
CID 118711802
2-Decyl-6-(dimethylamino)-4,5-dimethylpyridin-3-ol
CID 118711803
4-Decyl-6-(dimethylamino)-2,5-dimethylpyridin-3-ol
CID 118711804
6-(Dimethylamino)-2,4-dimethylpyridin-3-ol
CID 10909926

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol?
The IUPAC name of 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol (CID 71622514) is 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol.
What is the SMILES notation for 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol?
The canonical SMILES for 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol is Cc1nc(NCCCO)c(C)c(C)c1O.
What is the InChIKey of 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol?
The InChIKey is DABAQIZZIMBIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-8(2)11(12-5-4-6-14)13-9(3)10(7)15/h14-15H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol?
6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol has a molecular weight of 210.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropylamino)-2,4,5-trimethylpyridin-3-ol is sourced from PubChem (CID 71622514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).