[2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol

C10H10Cl2FN3O — CID 156704493

IUPAC[2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(F)(CN1c1cc(Cl)nc(Cl)n1)C2
InChIInChI=1S/C10H10Cl2FN3O/c11-6-1-7(15-8(12)14-6)16-4-9(13)2-10(16,3-9)5-17/h1,17H,2-5H2
InChIKeyWTEUEVSRMZAZMM-UHFFFAOYSA-N
MW278.11 g/mol
LogP1.84
Rot. Bonds2

About [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol

[2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol (PubChem CID 156704493) has the molecular formula C10H10Cl2FN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol.

Molecular Properties

Compound Name[2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol
PubChem CID156704493
Molecular FormulaC10H10Cl2FN3O
Molecular Weight278.11 g/mol
Exact Mass277.02
IUPAC Name[2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol
SMILESOCC12CC(F)(CN1c1cc(Cl)nc(Cl)n1)C2
InChIInChI=1S/C10H10Cl2FN3O/c11-6-1-7(15-8(12)14-6)16-4-9(13)2-10(16,3-9)5-17/h1,17H,2-5H2
InChIKeyWTEUEVSRMZAZMM-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-(2-Amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl)methanol
CID 76877854
2-(6-Chloro-2-methoxypyrimidin-4-yl)-1-(difluoromethyl)-4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane
CID 156704482
[2-(6-Chloro-2-methoxypyrimidin-4-yl)-4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
CID 167344110
(2R,8S)-8-[(4,6-dichloropyrimidin-2-yl)oxymethyl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 176183996
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 113875231
2-[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 113875387
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 113875389
(1-(6-Chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl)methanol
CID 121204086
(1-(6-Chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl)methanol
CID 121204087
[(2R)-1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 129353137
[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 129353138
[(2S)-1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 129500625

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The IUPAC name of [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol (CID 156704493) is [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol.
What is the SMILES notation for [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The canonical SMILES for [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol is OCC12CC(F)(CN1c1cc(Cl)nc(Cl)n1)C2.
What is the InChIKey of [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
The InChIKey is WTEUEVSRMZAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FN3O/c11-6-1-7(15-8(12)14-6)16-4-9(13)2-10(16,3-9)5-17/h1,17H,2-5H2.
What are the key properties of [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol?
[2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol has a molecular weight of 278.11 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol is sourced from PubChem (CID 156704493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).