5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one

C14H12N2O2 — CID 133486464

IUPAC5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one
SMILESCc1ccnc(Oc2ccc3c(c2)CCC3=O)n1
InChIInChI=1S/C14H12N2O2/c1-9-6-7-15-14(16-9)18-11-3-4-12-10(8-11)2-5-13(12)17/h3-4,6-8H,2,5H2,1H3
InChIKeyDTSLTWWMXUOFPP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.71
Rot. Bonds2

About 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one

5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one (PubChem CID 133486464) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one
PubChem CID133486464
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one
SMILESCc1ccnc(Oc2ccc3c(c2)CCC3=O)n1
InChIInChI=1S/C14H12N2O2/c1-9-6-7-15-14(16-9)18-11-3-4-12-10(8-11)2-5-13(12)17/h3-4,6-8H,2,5H2,1H3
InChIKeyDTSLTWWMXUOFPP-UHFFFAOYSA-N
XLogP2.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one (CID 133486464) is 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one is Cc1ccnc(Oc2ccc3c(c2)CCC3=O)n1.
What is the InChIKey of 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one?
The InChIKey is DTSLTWWMXUOFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-6-7-15-14(16-9)18-11-3-4-12-10(8-11)2-5-13(12)17/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one?
5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 133486464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).