8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one

C26H23N3O2 — CID 71602929

IUPAC8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(C)c4c3c2)cc1
InChIInChI=1S/C26H23N3O2/c1-28(2)16-17-9-11-18(12-10-17)20-13-14-22-21(15-20)24-25(31-22)23(27-26(30)29(24)3)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3
InChIKeyRFXGDWBFIDFELN-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.08
Rot. Bonds4

About 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one

8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 71602929) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID71602929
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(C)c4c3c2)cc1
InChIInChI=1S/C26H23N3O2/c1-28(2)16-17-9-11-18(12-10-17)20-13-14-22-21(15-20)24-25(31-22)23(27-26(30)29(24)3)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3
InChIKeyRFXGDWBFIDFELN-UHFFFAOYSA-N
XLogP5.08
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-Dimethylaminoethyloxy)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 59535598
8-Chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 59535602
8-[4-(Dimethylaminomethyl)phenyl]-1,4-diphenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535682
8-[4-(Dimethylaminomethyl)phenyl]-1-pentyl-4-phenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535732
8-[4-(Dimethylaminomethyl)phenyl]-1-(4-nitrophenyl)-4-phenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535743
5-[8-[4-(Dimethylaminomethyl)phenyl]-2-oxo-4-phenyl-benzofuro[3,2-d]pyrimidin-1-yl]-2-methyl-benzonitrile
CID 59535840
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
CID 71590307
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
CID 71590368
N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-yl-acetamide
CID 71602683
1-(2-Methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]benzofuro[3,2-d]pyrimidin-2-one
CID 71602729
4-[4-(2-Dimethylaminoethyloxymethyl)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 71602730
N-(2-dimethylaminoethyl)-4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]benzamide
CID 71602731

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 71602929) is 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one is CN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(C)c4c3c2)cc1.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is RFXGDWBFIDFELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-28(2)16-17-9-11-18(12-10-17)20-13-14-22-21(15-20)24-25(31-22)23(27-26(30)29(24)3)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3.
What are the key properties of 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 409.49 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]phenyl]-1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 71602929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).