(1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol

C12H20FN3O — CID 167168917

IUPAC(1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol
SMILESCc1nc(N)c(F)cc1[C@@H](O)CNC(C)(C)C
InChIInChI=1S/C12H20FN3O/c1-7-8(5-9(13)11(14)16-7)10(17)6-15-12(2,3)4/h5,10,15,17H,6H2,1-4H3,(H2,14,16)/t10-/m0/s1
InChIKeyCDWBENVKXXMDHD-JTQLQIEISA-N
MW241.31 g/mol
LogP1.53
Rot. Bonds3

About (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol

(1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol (PubChem CID 167168917) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol
PubChem CID167168917
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name(1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol
SMILESCc1nc(N)c(F)cc1[C@@H](O)CNC(C)(C)C
InChIInChI=1S/C12H20FN3O/c1-7-8(5-9(13)11(14)16-7)10(17)6-15-12(2,3)4/h5,10,15,17H,6H2,1-4H3,(H2,14,16)/t10-/m0/s1
InChIKeyCDWBENVKXXMDHD-JTQLQIEISA-N
XLogP1.53
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
3,5-difluoro-6-methylpyridin-2-amine
CID 21132018
(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155162177
(1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride
CID 165175425
acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
CID 138473211
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
1-[4-amino-3-(aminomethyl)phenyl]-2-(tert-butylamino)ethanol
CID 172782113
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
3-fluoro-6-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 166534161
1-(4-amino-3,5-diiodophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 70405373
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol?
The IUPAC name of (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol (CID 167168917) is (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol?
The canonical SMILES for (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol is Cc1nc(N)c(F)cc1[C@@H](O)CNC(C)(C)C.
What is the InChIKey of (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol?
The InChIKey is CDWBENVKXXMDHD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20FN3O/c1-7-8(5-9(13)11(14)16-7)10(17)6-15-12(2,3)4/h5,10,15,17H,6H2,1-4H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol?
(1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol has a molecular weight of 241.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-amino-5-fluoro-2-methyl-3-pyridinyl)-2-(tert-butylamino)ethanol is sourced from PubChem (CID 167168917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).