6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

C16H13N3O3 — CID 170503224

IUPAC6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(-c2ccc3c(c2)CCO3)nc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C16H13N3O3/c1-8-6-11(9-2-3-12-10(7-9)4-5-22-12)17-14-13(8)18-16(21)19-15(14)20/h2-3,6-7H,4-5H2,1H3,(H2,18,19,20,21)
InChIKeyYKGRUQAUNDNBKS-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.52
Rot. Bonds1

About 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 170503224) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID170503224
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(-c2ccc3c(c2)CCO3)nc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C16H13N3O3/c1-8-6-11(9-2-3-12-10(7-9)4-5-22-12)17-14-13(8)18-16(21)19-15(14)20/h2-3,6-7H,4-5H2,1H3,(H2,18,19,20,21)
InChIKeyYKGRUQAUNDNBKS-UHFFFAOYSA-N
XLogP1.52
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 170503224) is 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is Cc1cc(-c2ccc3c(c2)CCO3)nc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YKGRUQAUNDNBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-8-6-11(9-2-3-12-10(7-9)4-5-22-12)17-14-13(8)18-16(21)19-15(14)20/h2-3,6-7H,4-5H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 295.30 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 170503224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).