4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol

C9H11F3N2O2 — CID 59527371

IUPAC4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol
SMILESOCCCCOc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-5-8(14-6-13-7)16-4-2-1-3-15/h5-6,15H,1-4H2
InChIKeyPIDMPPCWGDEGAR-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.65
Rot. Bonds5

About 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol

4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol (PubChem CID 59527371) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol
PubChem CID59527371
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol
SMILESOCCCCOc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-5-8(14-6-13-7)16-4-2-1-3-15/h5-6,15H,1-4H2
InChIKeyPIDMPPCWGDEGAR-UHFFFAOYSA-N
XLogP1.65
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
CID 122536305
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
4-Methoxy-6-methylpyrimidine
CID 11959085
2,4-Diethoxy-6-methylpyrimidine
CID 260112
3-(2-Amino-6-Methyl-Pyrimidin-4-Yl)oxypropan-1-Ol
CID 80866888
2,4-Dimethoxy-6-(trifluoromethyl)pyrimidine
CID 21732779
4-Methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 3764410
4-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 839789
4-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyrimidine hydrochloride
CID 11623348
4-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyrimidine
CID 11623349
2-Chloro-4-ethoxy-6-(trifluoromethyl)pyrimidine
CID 13925077
[4-Ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide
CID 14280162

Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol?
The IUPAC name of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol (CID 59527371) is 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol.
What is the SMILES notation for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol?
The canonical SMILES for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol is OCCCCOc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol?
The InChIKey is PIDMPPCWGDEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)7-5-8(14-6-13-7)16-4-2-1-3-15/h5-6,15H,1-4H2.
What are the key properties of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol?
4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol has a molecular weight of 236.19 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol is sourced from PubChem (CID 59527371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).