N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

C19H26N6O — CID 5340113

IUPACN-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
SMILESC(=N/Nc1cc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccco1
InChIInChI=1S/C19H26N6O/c1-3-9-24(10-4-1)18-14-17(23-20-15-16-8-7-13-26-16)21-19(22-18)25-11-5-2-6-12-25/h7-8,13-15H,1-6,9-12H2,(H,21,22,23)/b20-15+
InChIKeyMEHOTBYPNNGRLG-HMMYKYKNSA-N
MW354.46 g/mol
LogP3.50
Rot. Bonds5

About N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine (PubChem CID 5340113) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
PubChem CID5340113
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
SMILESC(=N/Nc1cc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccco1
InChIInChI=1S/C19H26N6O/c1-3-9-24(10-4-1)18-14-17(23-20-15-16-8-7-13-26-16)21-19(22-18)25-11-5-2-6-12-25/h7-8,13-15H,1-6,9-12H2,(H,21,22,23)/b20-15+
InChIKeyMEHOTBYPNNGRLG-HMMYKYKNSA-N
XLogP3.50
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine (CID 5340113) is N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is C(=N/Nc1cc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The InChIKey is MEHOTBYPNNGRLG-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-9-24(10-4-1)18-14-17(23-20-15-16-8-7-13-26-16)21-19(22-18)25-11-5-2-6-12-25/h7-8,13-15H,1-6,9-12H2,(H,21,22,23)/b20-15+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 5340113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).