2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol

C16H16F3N3O2 — CID 136858370

IUPAC2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol
SMILESCc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H16F3N3O2/c1-10-8-14(22-6-7-24-13(9-22)16(17,18)19)21-15(20-10)11-4-2-3-5-12(11)23/h2-5,8,13,23H,6-7,9H2,1H3/t13-/m1/s1
InChIKeyFALXYAUFJGPROB-CYBMUJFWSA-N
MW339.32 g/mol
LogP2.93
Rot. Bonds2

About 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol

2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol (PubChem CID 136858370) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol
PubChem CID136858370
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol
SMILESCc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H16F3N3O2/c1-10-8-14(22-6-7-24-13(9-22)16(17,18)19)21-15(20-10)11-4-2-3-5-12(11)23/h2-5,8,13,23H,6-7,9H2,1H3/t13-/m1/s1
InChIKeyFALXYAUFJGPROB-CYBMUJFWSA-N
XLogP2.93
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol (CID 136858370) is 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol is Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol?
The InChIKey is FALXYAUFJGPROB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-8-14(22-6-7-24-13(9-22)16(17,18)19)21-15(20-10)11-4-2-3-5-12(11)23/h2-5,8,13,23H,6-7,9H2,1H3/t13-/m1/s1.
What are the key properties of 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol?
2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol has a molecular weight of 339.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136858370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).