5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

C15H16N2O3 — CID 137286211

IUPAC5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cc2cc3c(cc2O)OCC3)c(=O)[nH]1
InChIInChI=1S/C15H16N2O3/c1-8-12(15(19)17-9(2)16-8)6-11-5-10-3-4-20-14(10)7-13(11)18/h5,7,18H,3-4,6H2,1-2H3,(H,16,17,19)
InChIKeyZCZDMDHARZRQNR-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.62
Rot. Bonds2

About 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 137286211) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID137286211
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cc2cc3c(cc2O)OCC3)c(=O)[nH]1
InChIInChI=1S/C15H16N2O3/c1-8-12(15(19)17-9(2)16-8)6-11-5-10-3-4-20-14(10)7-13(11)18/h5,7,18H,3-4,6H2,1-2H3,(H,16,17,19)
InChIKeyZCZDMDHARZRQNR-UHFFFAOYSA-N
XLogP1.62
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 137286211) is 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(Cc2cc3c(cc2O)OCC3)c(=O)[nH]1.
What is the InChIKey of 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ZCZDMDHARZRQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-12(15(19)17-9(2)16-8)6-11-5-10-3-4-20-14(10)7-13(11)18/h5,7,18H,3-4,6H2,1-2H3,(H,16,17,19).
What are the key properties of 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 272.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137286211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).