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

C23H22N4O3 — CID 25268841

IUPAC2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O
InChIInChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)
InChIKeyBCDASHXLAMCATI-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.65
Rot. Bonds5

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

2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 25268841) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID25268841
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O
InChIInChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)
InChIKeyBCDASHXLAMCATI-UHFFFAOYSA-N
XLogP2.65
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 46889044
CID 46889044
CID 46889254
CID 46889254
CID 46888782
CID 46888782
CID 46888784
CID 46888784
CID 46888821
CID 46888821
CID 46888923
CID 46888923
CID 46888924
CID 46888924
CID 46888987
CID 46888987

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 25268841) is 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O.
What is the InChIKey of 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is BCDASHXLAMCATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26).
What are the key properties of 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 402.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 25268841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).