2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one

C24H24N4O2 — CID 166627333

IUPAC2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCC3)cc1C2=O
InChIInChI=1S/C24H24N4O2/c25-24-26-21(16-7-2-1-3-8-16)20-22(27-24)18-10-9-17(15-19(18)23(20)29)30-14-6-13-28-11-4-5-12-28/h1-3,7-10,15H,4-6,11-14H2,(H2,25,26,27)
InChIKeySWTVGVLYEISYND-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.80
Rot. Bonds6

About 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one

2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one (PubChem CID 166627333) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one
PubChem CID166627333
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCC3)cc1C2=O
InChIInChI=1S/C24H24N4O2/c25-24-26-21(16-7-2-1-3-8-16)20-22(27-24)18-10-9-17(15-19(18)23(20)29)30-14-6-13-28-11-4-5-12-28/h1-3,7-10,15H,4-6,11-14H2,(H2,25,26,27)
InChIKeySWTVGVLYEISYND-UHFFFAOYSA-N
XLogP3.80
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.80
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 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one (CID 166627333) is 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCC3)cc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is SWTVGVLYEISYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c25-24-26-21(16-7-2-1-3-8-16)20-22(27-24)18-10-9-17(15-19(18)23(20)29)30-14-6-13-28-11-4-5-12-28/h1-3,7-10,15H,4-6,11-14H2,(H2,25,26,27).
What are the key properties of 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 400.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 166627333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).