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

C20H19N7 — CID 3467242

IUPACN-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESc1cncc(-c2cc(NCCCn3ccnc3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C20H19N7/c1-3-17(14-22-6-1)18-13-19(24-7-2-11-27-12-10-23-15-27)26-20(25-18)16-4-8-21-9-5-16/h1,3-6,8-10,12-15H,2,7,11H2,(H,24,25,26)
InChIKeyFGGVHCVUGVSHOH-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.30
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 3467242) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID3467242
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESc1cncc(-c2cc(NCCCn3ccnc3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C20H19N7/c1-3-17(14-22-6-1)18-13-19(24-7-2-11-27-12-10-23-15-27)26-20(25-18)16-4-8-21-9-5-16/h1,3-6,8-10,12-15H,2,7,11H2,(H,24,25,26)
InChIKeyFGGVHCVUGVSHOH-UHFFFAOYSA-N
XLogP3.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (CID 3467242) is N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is c1cncc(-c2cc(NCCCn3ccnc3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is FGGVHCVUGVSHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-3-17(14-22-6-1)18-13-19(24-7-2-11-27-12-10-23-15-27)26-20(25-18)16-4-8-21-9-5-16/h1,3-6,8-10,12-15H,2,7,11H2,(H,24,25,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3467242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).