N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine

C26H23F3N4O — CID 3323057

IUPACN,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
SMILESCCN(CC)c1cc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C26H23F3N4O/c1-3-33(4-2)24-15-23(31-25(32-24)19-8-6-5-7-9-19)21-14-20(16-30-17-21)18-10-12-22(13-11-18)34-26(27,28)29/h5-17H,3-4H2,1-2H3
InChIKeyBRWFQSVUJFIHHO-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.62
Rot. Bonds7

About N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine

N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine (PubChem CID 3323057) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
PubChem CID3323057
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC NameN,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
SMILESCCN(CC)c1cc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C26H23F3N4O/c1-3-33(4-2)24-15-23(31-25(32-24)19-8-6-5-7-9-19)21-14-20(16-30-17-21)18-10-12-22(13-11-18)34-26(27,28)29/h5-17H,3-4H2,1-2H3
InChIKeyBRWFQSVUJFIHHO-UHFFFAOYSA-N
XLogP6.62
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine (CID 3323057) is N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine is CCN(CC)c1cc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is BRWFQSVUJFIHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c1-3-33(4-2)24-15-23(31-25(32-24)19-8-6-5-7-9-19)21-14-20(16-30-17-21)18-10-12-22(13-11-18)34-26(27,28)29/h5-17H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 464.49 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 3323057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).