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

C23H18N4O2 — CID 46889044

IUPAC2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccco3)ccc1C2=O
InChIInChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27)
InChIKeyPHKMNQZRCLRHSW-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.82
Rot. Bonds5

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

2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46889044) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46889044
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccco3)ccc1C2=O
InChIInChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27)
InChIKeyPHKMNQZRCLRHSW-UHFFFAOYSA-N
XLogP3.82
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46889044) is 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccco3)ccc1C2=O.
What is the InChIKey of 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is PHKMNQZRCLRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27).
What are the key properties of 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 382.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(furan-2-ylmethylamino)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).