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

C23H22N4O2 — CID 46888784

IUPAC2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O
InChIInChI=1S/C23H22N4O2/c24-23-25-20(15-6-2-1-3-7-15)19-21(26-23)18-14-16(8-9-17(18)22(19)28)29-13-12-27-10-4-5-11-27/h1-3,6-9,14H,4-5,10-13H2,(H2,24,25,26)
InChIKeyDWAWMNJZTVBRAL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.41
Rot. Bonds5

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

2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888784) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888784
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O
InChIInChI=1S/C23H22N4O2/c24-23-25-20(15-6-2-1-3-7-15)19-21(26-23)18-14-16(8-9-17(18)22(19)28)29-13-12-27-10-4-5-11-27/h1-3,6-9,14H,4-5,10-13H2,(H2,24,25,26)
InChIKeyDWAWMNJZTVBRAL-UHFFFAOYSA-N
XLogP3.41
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.41
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-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one (CID 46888784) is 2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is DWAWMNJZTVBRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c24-23-25-20(15-6-2-1-3-7-15)19-21(26-23)18-14-16(8-9-17(18)22(19)28)29-13-12-27-10-4-5-11-27/h1-3,6-9,14H,4-5,10-13H2,(H2,24,25,26).
What are the key properties of 2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 386.46 g/mol, XLogP of 3.41, 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-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).