2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C11H17F3N4O2 — CID 114565799

IUPAC2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(N(CCO)CCOC)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-15-10-16-8(11(12,13)14)7-9(17-10)18(3-5-19)4-6-20-2/h7,19H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyITUJFIIFFMJHBI-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.98
Rot. Bonds7

About 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 114565799) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID114565799
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(N(CCO)CCOC)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-15-10-16-8(11(12,13)14)7-9(17-10)18(3-5-19)4-6-20-2/h7,19H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyITUJFIIFFMJHBI-UHFFFAOYSA-N
XLogP0.98
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
2-[2-methoxyethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 113468505
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-(2-methoxyethyl)amino]ethanol
CID 102719240
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053
(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771269
(2R)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771270
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 114565799) is 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is CNc1nc(N(CCO)CCOC)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is ITUJFIIFFMJHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-15-10-16-8(11(12,13)14)7-9(17-10)18(3-5-19)4-6-20-2/h7,19H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 294.28 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 114565799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).