2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C14H14N2O2 — CID 65407148

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCc3ccccc32)[nH]c1=O
InChIInChI=1S/C14H14N2O2/c1-8-13(17)15-12(16-14(8)18)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyRVWTYFPIGNUTIJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.86
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 65407148) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID65407148
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCc3ccccc32)[nH]c1=O
InChIInChI=1S/C14H14N2O2/c1-8-13(17)15-12(16-14(8)18)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyRVWTYFPIGNUTIJ-UHFFFAOYSA-N
XLogP1.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 65407148) is 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(C2CCc3ccccc32)[nH]c1=O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is RVWTYFPIGNUTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-13(17)15-12(16-14(8)18)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65407148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).