1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

C19H16N2O3 — CID 155977216

IUPAC1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21
InChIInChI=1S/C19H16N2O3/c1-20-16-14-9-5-6-10-15(14)24-17(16)18(22)21(19(20)23)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyXLSSHOHPRSFAJY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.69
Rot. Bonds3

About 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (PubChem CID 155977216) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
PubChem CID155977216
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21
InChIInChI=1S/C19H16N2O3/c1-20-16-14-9-5-6-10-15(14)24-17(16)18(22)21(19(20)23)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyXLSSHOHPRSFAJY-UHFFFAOYSA-N
XLogP2.69
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (CID 155977216) is 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The InChIKey is XLSSHOHPRSFAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-20-16-14-9-5-6-10-15(14)24-17(16)18(22)21(19(20)23)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155977216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).