N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine

C17H14FN5 — CID 67535147

IUPACN-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine
SMILESFc1ccc(-c2cc(CC=NNc3cncnc3)ccn2)cc1
InChIInChI=1S/C17H14FN5/c18-15-3-1-14(2-4-15)17-9-13(5-7-21-17)6-8-22-23-16-10-19-12-20-11-16/h1-5,7-12,23H,6H2
InChIKeyYDTXSNANWHSPDR-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.32
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine

N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine (PubChem CID 67535147) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine
PubChem CID67535147
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine
SMILESFc1ccc(-c2cc(CC=NNc3cncnc3)ccn2)cc1
InChIInChI=1S/C17H14FN5/c18-15-3-1-14(2-4-15)17-9-13(5-7-21-17)6-8-22-23-16-10-19-12-20-11-16/h1-5,7-12,23H,6H2
InChIKeyYDTXSNANWHSPDR-UHFFFAOYSA-N
XLogP3.32
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine (CID 67535147) is N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine is Fc1ccc(-c2cc(CC=NNc3cncnc3)ccn2)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine?
The InChIKey is YDTXSNANWHSPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c18-15-3-1-14(2-4-15)17-9-13(5-7-21-17)6-8-22-23-16-10-19-12-20-11-16/h1-5,7-12,23H,6H2.
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine?
N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine has a molecular weight of 307.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine is sourced from PubChem (CID 67535147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).