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

C21H19FN6 — CID 4106530

IUPAC6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1cc(NCCCn2ccnc2)nc(-c2cccnc2)n1
InChIInChI=1S/C21H19FN6/c22-18-7-2-1-6-17(18)19-13-20(25-9-4-11-28-12-10-24-15-28)27-21(26-19)16-5-3-8-23-14-16/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,26,27)
InChIKeyBUZZEAVIEQKNDG-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.04
Rot. Bonds7

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

6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 4106530) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID4106530
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1cc(NCCCn2ccnc2)nc(-c2cccnc2)n1
InChIInChI=1S/C21H19FN6/c22-18-7-2-1-6-17(18)19-13-20(25-9-4-11-28-12-10-24-15-28)27-21(26-19)16-5-3-8-23-14-16/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,26,27)
InChIKeyBUZZEAVIEQKNDG-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

N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
CID 89234693
CID 89234693
2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol
CID 137290891
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80753527
N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373735
7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
CID 68862663
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine (CID 4106530) is 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine is Fc1ccccc1-c1cc(NCCCn2ccnc2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is BUZZEAVIEQKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-18-7-2-1-6-17(18)19-13-20(25-9-4-11-28-12-10-24-15-28)27-21(26-19)16-5-3-8-23-14-16/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,26,27).
What are the key properties of 6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
6-(2-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-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 4106530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).