4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine

C25H28N4O — CID 166634499

IUPAC4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCCC3)ccc1C2
InChIInChI=1S/C25H28N4O/c26-25-27-23(18-8-3-1-4-9-18)22-16-19-10-11-20(17-21(19)24(22)28-25)30-15-7-14-29-12-5-2-6-13-29/h1,3-4,8-11,17H,2,5-7,12-16H2,(H2,26,27,28)
InChIKeyDCSZPCOOHYVVRY-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.55
Rot. Bonds6

About 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine

4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine (PubChem CID 166634499) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
PubChem CID166634499
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCCC3)ccc1C2
InChIInChI=1S/C25H28N4O/c26-25-27-23(18-8-3-1-4-9-18)22-16-19-10-11-20(17-21(19)24(22)28-25)30-15-7-14-29-12-5-2-6-13-29/h1,3-4,8-11,17H,2,5-7,12-16H2,(H2,26,27,28)
InChIKeyDCSZPCOOHYVVRY-UHFFFAOYSA-N
XLogP4.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
The IUPAC name of 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine (CID 166634499) is 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCCC3)ccc1C2.
What is the InChIKey of 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
The InChIKey is DCSZPCOOHYVVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c26-25-27-23(18-8-3-1-4-9-18)22-16-19-10-11-20(17-21(19)24(22)28-25)30-15-7-14-29-12-5-2-6-13-29/h1,3-4,8-11,17H,2,5-7,12-16H2,(H2,26,27,28).
What are the key properties of 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine has a molecular weight of 400.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166634499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).