[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol

C11H13F2N3O — CID 140932759

IUPAC[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N2CC3C(C2)C3(F)F)ncc1CO
InChIInChI=1S/C11H13F2N3O/c1-6-7(5-17)2-14-10(15-6)16-3-8-9(4-16)11(8,12)13/h2,8-9,17H,3-5H2,1H3
InChIKeyRHYNTHFRJKDPPR-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.98
Rot. Bonds2

About [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol

[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 140932759) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol
PubChem CID140932759
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N2CC3C(C2)C3(F)F)ncc1CO
InChIInChI=1S/C11H13F2N3O/c1-6-7(5-17)2-14-10(15-6)16-3-8-9(4-16)11(8,12)13/h2,8-9,17H,3-5H2,1H3
InChIKeyRHYNTHFRJKDPPR-UHFFFAOYSA-N
XLogP0.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol with MolForge

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Related Compounds

2,4-Dimethyl-5-pyrimidinemethanol
CID 98784
(4-Methylpyrimidin-5-yl)methanol
CID 24903630
(2-Amino-4-(trifluoromethyl)pyrimidin-5-yl)methanol
CID 55295966
(1-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 57708394
(1-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 57708404
(2-Methyl-4-(trifluoromethyl)pyrimidin-5-yl)methanol
CID 71748509
(4-Methyl-2-(trifluoromethyl)pyrimidin-5-yl)methanol
CID 89768198
(4-(Trifluoromethyl)pyrimidin-5-yl)methanol
CID 130482972
(4-(Difluoromethyl)pyrimidin-5-YL)methanol
CID 130482996
1-[4-Methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol
CID 135317682
[2-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-4-yl]methanol
CID 137501034
3-[5-(Azidomethyl)-4-methylpyrimidin-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 140932756

Frequently Asked Questions

What is the IUPAC name of [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol (CID 140932759) is [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol is Cc1nc(N2CC3C(C2)C3(F)F)ncc1CO.
What is the InChIKey of [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is RHYNTHFRJKDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-6-7(5-17)2-14-10(15-6)16-3-8-9(4-16)11(8,12)13/h2,8-9,17H,3-5H2,1H3.
What are the key properties of [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol?
[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 241.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 140932759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).