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

C24H19N5O — CID 46888823

IUPAC2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccncc3)ccc1C2=O
InChIInChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29)
InChIKeySGCKFTQBQUYCKZ-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.99
Rot. Bonds5

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

2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888823) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888823
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccncc3)ccc1C2=O
InChIInChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29)
InChIKeySGCKFTQBQUYCKZ-UHFFFAOYSA-N
XLogP3.99
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one (CID 46888823) is 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccncc3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is SGCKFTQBQUYCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29).
What are the key properties of 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 393.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(2-pyridin-4-ylethylamino)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).