N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

C19H30N6 — CID 72875112

IUPACN-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCCCn3ccnc3)CC2)nc(C)n1
InChIInChI=1S/C19H30N6/c1-3-5-18-14-19(23-16(2)22-18)25-11-6-17(7-12-25)21-8-4-10-24-13-9-20-15-24/h9,13-15,17,21H,3-8,10-12H2,1-2H3
InChIKeyBLKALOJKSGAEPL-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.58
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72875112) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72875112
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCCCn3ccnc3)CC2)nc(C)n1
InChIInChI=1S/C19H30N6/c1-3-5-18-14-19(23-16(2)22-18)25-11-6-17(7-12-25)21-8-4-10-24-13-9-20-15-24/h9,13-15,17,21H,3-8,10-12H2,1-2H3
InChIKeyBLKALOJKSGAEPL-UHFFFAOYSA-N
XLogP2.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.58
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)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (CID 72875112) is N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is CCCc1cc(N2CCC(NCCCn3ccnc3)CC2)nc(C)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is BLKALOJKSGAEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-3-5-18-14-19(23-16(2)22-18)25-11-6-17(7-12-25)21-8-4-10-24-13-9-20-15-24/h9,13-15,17,21H,3-8,10-12H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
N-(3-imidazol-1-ylpropyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 2.58, 8 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)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72875112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).