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

C22H21N5O2 — CID 46889098

IUPAC2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O
InChIInChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26)
InChIKeyIRZRRGHYHQDDFL-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.27
Rot. Bonds4

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

2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46889098) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46889098
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O
InChIInChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26)
InChIKeyIRZRRGHYHQDDFL-UHFFFAOYSA-N
XLogP2.27
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46889098) is 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O.
What is the InChIKey of 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is IRZRRGHYHQDDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26).
What are the key properties of 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 387.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(morpholin-4-ylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).