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

C24H26N4O — CID 166632657

IUPAC4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2
InChIInChI=1S/C24H26N4O/c25-24-26-22(17-7-2-1-3-8-17)21-15-18-9-10-19(16-20(18)23(21)27-24)29-14-6-13-28-11-4-5-12-28/h1-3,7-10,16H,4-6,11-15H2,(H2,25,26,27)
InChIKeyBDUVGZUKNGPFEZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.16
Rot. Bonds6

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

4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine (PubChem CID 166632657) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
PubChem CID166632657
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2
InChIInChI=1S/C24H26N4O/c25-24-26-22(17-7-2-1-3-8-17)21-15-18-9-10-19(16-20(18)23(21)27-24)29-14-6-13-28-11-4-5-12-28/h1-3,7-10,16H,4-6,11-15H2,(H2,25,26,27)
InChIKeyBDUVGZUKNGPFEZ-UHFFFAOYSA-N
XLogP4.16
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
The IUPAC name of 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine (CID 166632657) is 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2.
What is the InChIKey of 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
The InChIKey is BDUVGZUKNGPFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c25-24-26-22(17-7-2-1-3-8-17)21-15-18-9-10-19(16-20(18)23(21)27-24)29-14-6-13-28-11-4-5-12-28/h1-3,7-10,16H,4-6,11-15H2,(H2,25,26,27).
What are the key properties of 4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine?
4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 4.16, 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-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166632657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).