4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one

C17H18N4O2 — CID 167893302

IUPAC4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one
SMILESCc1nc(-c2ccc3c(c2C)CCO3)nc2c1NC(=O)CN2C
InChIInChI=1S/C17H18N4O2/c1-9-11-6-7-23-13(11)5-4-12(9)16-18-10(2)15-17(20-16)21(3)8-14(22)19-15/h4-5H,6-8H2,1-3H3,(H,19,22)
InChIKeyXTQMJXDCQLFEIF-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.08
Rot. Bonds1

About 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one

4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one (PubChem CID 167893302) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one
PubChem CID167893302
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one
SMILESCc1nc(-c2ccc3c(c2C)CCO3)nc2c1NC(=O)CN2C
InChIInChI=1S/C17H18N4O2/c1-9-11-6-7-23-13(11)5-4-12(9)16-18-10(2)15-17(20-16)21(3)8-14(22)19-15/h4-5H,6-8H2,1-3H3,(H,19,22)
InChIKeyXTQMJXDCQLFEIF-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one?
The IUPAC name of 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one (CID 167893302) is 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one?
The canonical SMILES for 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one is Cc1nc(-c2ccc3c(c2C)CCO3)nc2c1NC(=O)CN2C.
What is the InChIKey of 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one?
The InChIKey is XTQMJXDCQLFEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9-11-6-7-23-13(11)5-4-12(9)16-18-10(2)15-17(20-16)21(3)8-14(22)19-15/h4-5H,6-8H2,1-3H3,(H,19,22).
What are the key properties of 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one?
4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one has a molecular weight of 310.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-(4-methyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 167893302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).