2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C11H17F3N4O — CID 114564255

IUPAC2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCNc1nc(N(CC)CCO)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-3-15-10-16-8(11(12,13)14)7-9(17-10)18(4-2)5-6-19/h7,19H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyFHJDAHSGPWGKHS-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.75
Rot. Bonds6

About 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 114564255) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID114564255
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCNc1nc(N(CC)CCO)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-3-15-10-16-8(11(12,13)14)7-9(17-10)18(4-2)5-6-19/h7,19H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyFHJDAHSGPWGKHS-UHFFFAOYSA-N
XLogP1.75
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114565799
2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564013
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567378
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 114564255) is 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is CCNc1nc(N(CC)CCO)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is FHJDAHSGPWGKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-15-10-16-8(11(12,13)14)7-9(17-10)18(4-2)5-6-19/h7,19H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 278.28 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 114564255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).