N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine

C23H16F2N4 — CID 170741206

IUPACN-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine
SMILESFC(F)c1cc(N=C(c2ccccc2)c2ccccc2)cnc1-c1ncccn1
InChIInChI=1S/C23H16F2N4/c24-22(25)19-14-18(15-28-21(19)23-26-12-7-13-27-23)29-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,22H
InChIKeyHJGJXIGHMGLCEC-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.65
Rot. Bonds5

About N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine

N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 170741206) has the molecular formula C23H16F2N4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine
PubChem CID170741206
Molecular FormulaC23H16F2N4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine
SMILESFC(F)c1cc(N=C(c2ccccc2)c2ccccc2)cnc1-c1ncccn1
InChIInChI=1S/C23H16F2N4/c24-22(25)19-14-18(15-28-21(19)23-26-12-7-13-27-23)29-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,22H
InChIKeyHJGJXIGHMGLCEC-UHFFFAOYSA-N
XLogP5.65
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine (CID 170741206) is N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine is FC(F)c1cc(N=C(c2ccccc2)c2ccccc2)cnc1-c1ncccn1.
What is the InChIKey of N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is HJGJXIGHMGLCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4/c24-22(25)19-14-18(15-28-21(19)23-26-12-7-13-27-23)29-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,22H.
What are the key properties of N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine?
N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 386.41 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 170741206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).