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

C13H12N2O2 — CID 65406764

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCc3ccccc32)[nH]1
InChIInChI=1S/C13H12N2O2/c16-11-7-12(17)15-13(14-11)10-6-5-8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2,(H2,14,15,16,17)
InChIKeyKFGGGLUZFJJXFA-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.55
Rot. Bonds1

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

2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 65406764) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID65406764
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCc3ccccc32)[nH]1
InChIInChI=1S/C13H12N2O2/c16-11-7-12(17)15-13(14-11)10-6-5-8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2,(H2,14,15,16,17)
InChIKeyKFGGGLUZFJJXFA-UHFFFAOYSA-N
XLogP1.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407148
5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286968
lithium;5-(2,3-dihydro-1H-inden-1-yl)-1H-1,2,4-triazole-3-carboxylic acid;hydroxide
CID 172816163
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475280
5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 103977518
2-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydroimidazol-5-one
CID 106951843
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926289
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134
4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
CID 81455031
[6-cyclopropyl-2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]hydrazine
CID 65404645

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 65406764) is 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(C2CCc3ccccc32)[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is KFGGGLUZFJJXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-11-7-12(17)15-13(14-11)10-6-5-8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2,(H2,14,15,16,17).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of 1.55, 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-1H-pyrimidin-6-one is sourced from PubChem (CID 65406764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).