2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one

C24H24N4O2 — CID 46888782

IUPAC2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCCC3)ccc1C2=O
InChIInChI=1S/C24H24N4O2/c25-24-26-21(16-7-3-1-4-8-16)20-22(27-24)19-15-17(9-10-18(19)23(20)29)30-14-13-28-11-5-2-6-12-28/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,25,26,27)
InChIKeyXWPJRSCGRMWLPR-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.80
Rot. Bonds5

About 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one

2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888782) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888782
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCCC3)ccc1C2=O
InChIInChI=1S/C24H24N4O2/c25-24-26-21(16-7-3-1-4-8-16)20-22(27-24)19-15-17(9-10-18(19)23(20)29)30-14-13-28-11-5-2-6-12-28/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,25,26,27)
InChIKeyXWPJRSCGRMWLPR-UHFFFAOYSA-N
XLogP3.80
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one (CID 46888782) is 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCCC3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is XWPJRSCGRMWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c25-24-26-21(16-7-3-1-4-8-16)20-22(27-24)19-15-17(9-10-18(19)23(20)29)30-14-13-28-11-5-2-6-12-28/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,25,26,27).
What are the key properties of 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 400.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(2-piperidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).