6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine

C21H19FN6 — CID 5088145

IUPAC6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESFc1ccc(-c2cc(NCCCn3ccnc3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H19FN6/c22-18-6-4-16(5-7-18)19-13-20(25-9-2-11-28-12-10-24-15-28)27-21(26-19)17-3-1-8-23-14-17/h1,3-8,10,12-15H,2,9,11H2,(H,25,26,27)
InChIKeyJLKBFGAKLFDIFT-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.04
Rot. Bonds7

About 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine

6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 5088145) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID5088145
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESFc1ccc(-c2cc(NCCCn3ccnc3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H19FN6/c22-18-6-4-16(5-7-18)19-13-20(25-9-2-11-28-12-10-24-15-28)27-21(26-19)17-3-1-8-23-14-17/h1,3-8,10,12-15H,2,9,11H2,(H,25,26,27)
InChIKeyJLKBFGAKLFDIFT-UHFFFAOYSA-N
XLogP4.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Abemaciclib
CID 46220502
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Tecastemizole
CID 123618
Miransertib
CID 53262401
SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-4708671
CID 51371303
ML323
CID 60167849
PF-670462
CID 51049607
CR-4056
CID 24898732

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine (CID 5088145) is 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine is Fc1ccc(-c2cc(NCCCn3ccnc3)nc(-c3cccnc3)n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is JLKBFGAKLFDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-18-6-4-16(5-7-18)19-13-20(25-9-2-11-28-12-10-24-15-28)27-21(26-19)17-3-1-8-23-14-17/h1,3-8,10,12-15H,2,9,11H2,(H,25,26,27).
What are the key properties of 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 374.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 5088145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).