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

C25H26N4O2 — CID 166632350

IUPAC2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C25H26N4O2/c26-25-27-22(21-23(28-25)19-7-2-3-8-20(19)24(21)30)17-9-11-18(12-10-17)31-16-6-15-29-13-4-1-5-14-29/h2-3,7-12H,1,4-6,13-16H2,(H2,26,27,28)
InChIKeyOYWQMDWRCCYZOE-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.19
Rot. Bonds6

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

2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one (PubChem CID 166632350) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one
PubChem CID166632350
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C25H26N4O2/c26-25-27-22(21-23(28-25)19-7-2-3-8-20(19)24(21)30)17-9-11-18(12-10-17)31-16-6-15-29-13-4-1-5-14-29/h2-3,7-12H,1,4-6,13-16H2,(H2,26,27,28)
InChIKeyOYWQMDWRCCYZOE-UHFFFAOYSA-N
XLogP4.19
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.19
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-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one (CID 166632350) is 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one?
The InChIKey is OYWQMDWRCCYZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c26-25-27-22(21-23(28-25)19-7-2-3-8-20(19)24(21)30)17-9-11-18(12-10-17)31-16-6-15-29-13-4-1-5-14-29/h2-3,7-12H,1,4-6,13-16H2,(H2,26,27,28).
What are the key properties of 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one?
2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one has a molecular weight of 414.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 166632350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).