4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol

C15H16F3N3O2 — CID 56864205

IUPAC4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(C(O)CNc2nccc(CCC(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)7-5-11-6-8-19-14(21-11)20-9-13(23)10-1-3-12(22)4-2-10/h1-4,6,8,13,22-23H,5,7,9H2,(H,19,20,21)
InChIKeyVUTLQBMPAPLNHK-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.82
Rot. Bonds6

About 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol

4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 56864205) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID56864205
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(C(O)CNc2nccc(CCC(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)7-5-11-6-8-19-14(21-11)20-9-13(23)10-1-3-12(22)4-2-10/h1-4,6,8,13,22-23H,5,7,9H2,(H,19,20,21)
InChIKeyVUTLQBMPAPLNHK-UHFFFAOYSA-N
XLogP2.82
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol with MolForge

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Related Compounds

methyl (2R)-2-(4-hydroxyphenyl)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]acetate
CID 56877193
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95561128
N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56881227
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56868088
N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865738
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866225
N-[1-(2-methylpyrazol-3-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56867835
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95558339
1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol
CID 2795915
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381
cyclopropyl-[(3S)-3-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 95555725

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol (CID 56864205) is 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol is Oc1ccc(C(O)CNc2nccc(CCC(F)(F)F)n2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is VUTLQBMPAPLNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)7-5-11-6-8-19-14(21-11)20-9-13(23)10-1-3-12(22)4-2-10/h1-4,6,8,13,22-23H,5,7,9H2,(H,19,20,21).
What are the key properties of 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol?
4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 327.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 56864205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).