[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol

C12H14F2N2O2 — CID 114205189

IUPAC[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(C2CC3CCC2O3)nc1C(F)F
InChIInChI=1S/C12H14F2N2O2/c13-11(14)10-6(5-17)4-15-12(16-10)8-3-7-1-2-9(8)18-7/h4,7-9,11,17H,1-3,5H2
InChIKeyGLJVDPHRGCECIA-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.94
Rot. Bonds3

About [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol

[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol (PubChem CID 114205189) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol
PubChem CID114205189
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(C2CC3CCC2O3)nc1C(F)F
InChIInChI=1S/C12H14F2N2O2/c13-11(14)10-6(5-17)4-15-12(16-10)8-3-7-1-2-9(8)18-7/h4,7-9,11,17H,1-3,5H2
InChIKeyGLJVDPHRGCECIA-UHFFFAOYSA-N
XLogP1.94
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylic acid
CID 64185697
2-(7-Oxabicyclo[2.2.1]heptan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 64188469
[2-(Oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114204995
[4-(Difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol
CID 114205173
[4-(Difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol
CID 114205182
[4-(Difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol
CID 114205195
5-(Chloromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-(trifluoromethyl)pyrimidine
CID 114205284
5-(Chloromethyl)-4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
CID 114205517
5-(Bromomethyl)-4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
CID 114205884
[4-(Difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine
CID 114206174
(1S)-1-[2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]ethanol
CID 114216525
[2-(3,3-Difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol
CID 114217040

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol (CID 114205189) is [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol is OCc1cnc(C2CC3CCC2O3)nc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol?
The InChIKey is GLJVDPHRGCECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-11(14)10-6(5-17)4-15-12(16-10)8-3-7-1-2-9(8)18-7/h4,7-9,11,17H,1-3,5H2.
What are the key properties of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol has a molecular weight of 256.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).