4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one

C13H12N2O2 — CID 103241277

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc3c(c2)CCC3)nc[nH]1
InChIInChI=1S/C13H12N2O2/c16-12-7-13(15-8-14-12)17-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,14,15,16)
InChIKeyFVMOIXMBINBTAQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.05
Rot. Bonds2

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

4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241277) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one
PubChem CID103241277
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc3c(c2)CCC3)nc[nH]1
InChIInChI=1S/C13H12N2O2/c16-12-7-13(15-8-14-12)17-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,14,15,16)
InChIKeyFVMOIXMBINBTAQ-UHFFFAOYSA-N
XLogP2.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 103240916
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
CID 114676337
4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
CID 114585970
6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 79176837
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide
CID 28825096
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
[6-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methanamine
CID 28824727
6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
CID 60791786
[6-(2,3-dihydro-1H-inden-5-yloxy)pyridazin-3-yl]methanamine
CID 62322559
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)pyrazine
CID 60726088
2-(chloromethyl)-6-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 62240738
4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80740168

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one (CID 103241277) is 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one is O=c1cc(Oc2ccc3c(c2)CCC3)nc[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one?
The InChIKey is FVMOIXMBINBTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-7-13(15-8-14-12)17-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,14,15,16).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one?
4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).