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

C16H18N2O2 — CID 65408688

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2Cc3ccccc3C2)[nH]c1=O
InChIInChI=1S/C16H18N2O2/c1-9(2)13-15(19)17-14(18-16(13)20)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyBKLCSMGWNNBYBW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.48
Rot. Bonds2

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

2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 65408688) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID65408688
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2Cc3ccccc3C2)[nH]c1=O
InChIInChI=1S/C16H18N2O2/c1-9(2)13-15(19)17-14(18-16(13)20)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyBKLCSMGWNNBYBW-UHFFFAOYSA-N
XLogP2.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.48
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-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 65408688) is 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2Cc3ccccc3C2)[nH]c1=O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BKLCSMGWNNBYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9(2)13-15(19)17-14(18-16(13)20)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 270.33 g/mol, XLogP of 2.48, 2 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-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 65408688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).