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

C21H20N6 — CID 5051811

IUPACN-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NCCCn3ccnc3)cc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H20N6/c1-2-5-18(6-3-1)21-25-19(17-7-10-22-11-8-17)15-20(26-21)24-9-4-13-27-14-12-23-16-27/h1-3,5-8,10-12,14-16H,4,9,13H2,(H,24,25,26)
InChIKeyMSAPNMANCMNLHQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.90
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine (PubChem CID 5051811) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
PubChem CID5051811
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NCCCn3ccnc3)cc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H20N6/c1-2-5-18(6-3-1)21-25-19(17-7-10-22-11-8-17)15-20(26-21)24-9-4-13-27-14-12-23-16-27/h1-3,5-8,10-12,14-16H,4,9,13H2,(H,24,25,26)
InChIKeyMSAPNMANCMNLHQ-UHFFFAOYSA-N
XLogP3.90
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine (CID 5051811) is N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine is c1ccc(-c2nc(NCCCn3ccnc3)cc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is MSAPNMANCMNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-2-5-18(6-3-1)21-25-19(17-7-10-22-11-8-17)15-20(26-21)24-9-4-13-27-14-12-23-16-27/h1-3,5-8,10-12,14-16H,4,9,13H2,(H,24,25,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 5051811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).