2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one

C23H24N4O2 — CID 46889254

IUPAC2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26)
InChIKeyHOQTXEAKDQLKNF-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.66
Rot. Bonds7

About 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46889254) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46889254
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26)
InChIKeyHOQTXEAKDQLKNF-UHFFFAOYSA-N
XLogP3.66
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46889254) is 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one is CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is HOQTXEAKDQLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 388.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-(diethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).