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

C16H18N2O3 — CID 107851480

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(O)n(C2Cc3ccccc3C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-9(2)13-14(19)17-16(21)18(15(13)20)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,20H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyCAAOFFLTMNFNLT-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.71
Rot. Bonds2

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

1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 107851480) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID107851480
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(O)n(C2Cc3ccccc3C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-9(2)13-14(19)17-16(21)18(15(13)20)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,20H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyCAAOFFLTMNFNLT-UHFFFAOYSA-N
XLogP1.71
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione (CID 107851480) is 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(O)n(C2Cc3ccccc3C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is CAAOFFLTMNFNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)13-14(19)17-16(21)18(15(13)20)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,20H,7-8H2,1-2H3,(H,17,19,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 107851480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).