N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine

C17H13FN4 — CID 3107053

IUPACN-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
SMILESFc1cccc(C=NNc2ncc(-c3ccccc3)cn2)c1
InChIInChI=1S/C17H13FN4/c18-16-8-4-5-13(9-16)10-21-22-17-19-11-15(12-20-17)14-6-2-1-3-7-14/h1-12H,(H,19,20,22)
InChIKeyAKULEJFTBGUTKT-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.73
Rot. Bonds4

About N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine

N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine (PubChem CID 3107053) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
PubChem CID3107053
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
SMILESFc1cccc(C=NNc2ncc(-c3ccccc3)cn2)c1
InChIInChI=1S/C17H13FN4/c18-16-8-4-5-13(9-16)10-21-22-17-19-11-15(12-20-17)14-6-2-1-3-7-14/h1-12H,(H,19,20,22)
InChIKeyAKULEJFTBGUTKT-UHFFFAOYSA-N
XLogP3.73
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5332811
3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
CID 3622419
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine
CID 45481342
2-(4-bromophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
CID 5338828
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
CID 44537201
N-[[3-(2-fluorophenyl)phenyl]methylideneamino]aniline
CID 169382256
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 139238045
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine (CID 3107053) is N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine is Fc1cccc(C=NNc2ncc(-c3ccccc3)cn2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine?
The InChIKey is AKULEJFTBGUTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c18-16-8-4-5-13(9-16)10-21-22-17-19-11-15(12-20-17)14-6-2-1-3-7-14/h1-12H,(H,19,20,22).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine?
N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine has a molecular weight of 292.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine is sourced from PubChem (CID 3107053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).