7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine

C33H43N5O2 — CID 166633096

IUPAC7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2
InChIInChI=1S/C33H43N5O2/c34-33-35-31(25-9-11-27(12-10-25)39-21-7-19-37-15-3-1-4-16-37)30-24-26-23-28(13-14-29(26)32(30)36-33)40-22-8-20-38-17-5-2-6-18-38/h9-14,23H,1-8,15-22,24H2,(H2,34,35,36)
InChIKeyWBLFYMQYQYGVGK-UHFFFAOYSA-N
MW541.74 g/mol
LogP5.81
Rot. Bonds11

About 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine

7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine (PubChem CID 166633096) has the molecular formula C33H43N5O2 and a molecular weight of 541.74 g/mol. Its IUPAC name is 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
PubChem CID166633096
Molecular FormulaC33H43N5O2
Molecular Weight541.74 g/mol
Exact Mass541.34
IUPAC Name7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2
InChIInChI=1S/C33H43N5O2/c34-33-35-31(25-9-11-27(12-10-25)39-21-7-19-37-15-3-1-4-16-37)30-24-26-23-28(13-14-29(26)32(30)36-33)40-22-8-20-38-17-5-2-6-18-38/h9-14,23H,1-8,15-22,24H2,(H2,34,35,36)
InChIKeyWBLFYMQYQYGVGK-UHFFFAOYSA-N
XLogP5.81
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 55.81
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 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine (CID 166633096) is 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine is Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2.
What is the InChIKey of 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
The InChIKey is WBLFYMQYQYGVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O2/c34-33-35-31(25-9-11-27(12-10-25)39-21-7-19-37-15-3-1-4-16-37)30-24-26-23-28(13-14-29(26)32(30)36-33)40-22-8-20-38-17-5-2-6-18-38/h9-14,23H,1-8,15-22,24H2,(H2,34,35,36).
What are the key properties of 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine has a molecular weight of 541.74 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166633096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).