2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol

C9H12F3N3O2 — CID 114566256

IUPAC2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
SMILESCCNc1nc(OCCO)cc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O2/c1-2-13-8-14-6(9(10,11)12)5-7(15-8)17-4-3-16/h5,16H,2-4H2,1H3,(H,13,14,15)
InChIKeyNRMNBSFHHAUHEI-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.30
Rot. Bonds5

About 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol

2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol (PubChem CID 114566256) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
PubChem CID114566256
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
SMILESCCNc1nc(OCCO)cc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O2/c1-2-13-8-14-6(9(10,11)12)5-7(15-8)17-4-3-16/h5,16H,2-4H2,1H3,(H,13,14,15)
InChIKeyNRMNBSFHHAUHEI-UHFFFAOYSA-N
XLogP1.30
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 102741368
4-[(E)-but-2-enoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566455
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566221
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566398
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566566
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563476
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol (CID 114566256) is 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol is CCNc1nc(OCCO)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
The InChIKey is NRMNBSFHHAUHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-2-13-8-14-6(9(10,11)12)5-7(15-8)17-4-3-16/h5,16H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol has a molecular weight of 251.21 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 114566256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).