3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C19H16N2O2 — CID 4048778

IUPAC3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3c(oc4ccccc43)c2=O)c1
InChIInChI=1S/C19H16N2O2/c1-12-7-8-13(2)14(9-12)10-21-11-20-17-15-5-3-4-6-16(15)23-18(17)19(21)22/h3-9,11H,10H2,1-2H3
InChIKeyQEALVKFTZHFCLM-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.81
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 4048778) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID4048778
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3c(oc4ccccc43)c2=O)c1
InChIInChI=1S/C19H16N2O2/c1-12-7-8-13(2)14(9-12)10-21-11-20-17-15-5-3-4-6-16(15)23-18(17)19(21)22/h3-9,11H,10H2,1-2H3
InChIKeyQEALVKFTZHFCLM-UHFFFAOYSA-N
XLogP3.81
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 135415469
4-Oxobenzofuro[3,2-d]pyrimidine-3(4H)-acetic acid
CID 4962437
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135420405
3-(3-chlorobenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 4048782
N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808373
3-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 5071372
3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one
CID 5071373
3-isopropyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 5071374
3-butyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 5071375
2-benzyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135456879
8-acetyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867925

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 4048778) is 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1ccc(C)c(Cn2cnc3c(oc4ccccc43)c2=O)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is QEALVKFTZHFCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-7-8-13(2)14(9-12)10-21-11-20-17-15-5-3-4-6-16(15)23-18(17)19(21)22/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 4048778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).