2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol

C14H14N2O — CID 65409603

IUPAC2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol
SMILESOC(c1cncnc1)C1CCc2ccccc21
InChIInChI=1S/C14H14N2O/c17-14(11-7-15-9-16-8-11)13-6-5-10-3-1-2-4-12(10)13/h1-4,7-9,13-14,17H,5-6H2
InChIKeyPOKRGWMTXKLOGI-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.24
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol

2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol (PubChem CID 65409603) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol
PubChem CID65409603
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol
SMILESOC(c1cncnc1)C1CCc2ccccc21
InChIInChI=1S/C14H14N2O/c17-14(11-7-15-9-16-8-11)13-6-5-10-3-1-2-4-12(10)13/h1-4,7-9,13-14,17H,5-6H2
InChIKeyPOKRGWMTXKLOGI-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol (CID 65409603) is 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol is OC(c1cncnc1)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol?
The InChIKey is POKRGWMTXKLOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(11-7-15-9-16-8-11)13-6-5-10-3-1-2-4-12(10)13/h1-4,7-9,13-14,17H,5-6H2.
What are the key properties of 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol?
2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol has a molecular weight of 226.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol is sourced from PubChem (CID 65409603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).