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

C21H20N4O2 — CID 46889252

IUPAC2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyKSTJTXFKYKEBRB-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.88
Rot. Bonds5

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

2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46889252) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46889252
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyKSTJTXFKYKEBRB-UHFFFAOYSA-N
XLogP2.88
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.88
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-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46889252) is 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one is CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is KSTJTXFKYKEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 360.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).