2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one

C15H16N2O2 — CID 91941408

IUPAC2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one
SMILESCC(C)Oc1cccc(C=Cc2nccc(=O)[nH]2)c1
InChIInChI=1S/C15H16N2O2/c1-11(2)19-13-5-3-4-12(10-13)6-7-14-16-9-8-15(18)17-14/h3-11H,1-2H3,(H,16,17,18)
InChIKeyDRCQIJFPLCCYBI-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.73
Rot. Bonds4

About 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one

2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one (PubChem CID 91941408) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one
PubChem CID91941408
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one
SMILESCC(C)Oc1cccc(C=Cc2nccc(=O)[nH]2)c1
InChIInChI=1S/C15H16N2O2/c1-11(2)19-13-5-3-4-12(10-13)6-7-14-16-9-8-15(18)17-14/h3-11H,1-2H3,(H,16,17,18)
InChIKeyDRCQIJFPLCCYBI-UHFFFAOYSA-N
XLogP2.73
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one (CID 91941408) is 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one is CC(C)Oc1cccc(C=Cc2nccc(=O)[nH]2)c1.
What is the InChIKey of 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one?
The InChIKey is DRCQIJFPLCCYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(2)19-13-5-3-4-12(10-13)6-7-14-16-9-8-15(18)17-14/h3-11H,1-2H3,(H,16,17,18).
What are the key properties of 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one?
2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 91941408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).