N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide

C15H14F3N3O2 — CID 51094238

IUPACN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCC(O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H14F3N3O2/c1-9-19-7-6-12(21-9)14(23)20-8-13(22)10-4-2-3-5-11(10)15(16,17)18/h2-7,13,22H,8H2,1H3,(H,20,23)
InChIKeyOZYOKZFNTNHNPM-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.27
Rot. Bonds4

About N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 51094238) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID51094238
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCC(O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H14F3N3O2/c1-9-19-7-6-12(21-9)14(23)20-8-13(22)10-4-2-3-5-11(10)15(16,17)18/h2-7,13,22H,8H2,1H3,(H,20,23)
InChIKeyOZYOKZFNTNHNPM-UHFFFAOYSA-N
XLogP2.27
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide (CID 51094238) is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NCC(O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is OZYOKZFNTNHNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-9-19-7-6-12(21-9)14(23)20-8-13(22)10-4-2-3-5-11(10)15(16,17)18/h2-7,13,22H,8H2,1H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide?
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 51094238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).