4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one

C16H14N2O3 — CID 158496620

IUPAC4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cc(C3=CC=CC3)nc(=O)[nH]2)ccc1O
InChIInChI=1S/C16H14N2O3/c1-21-15-8-11(6-7-14(15)19)13-9-12(17-16(20)18-13)10-4-2-3-5-10/h2-4,6-9,19H,5H2,1H3,(H,17,18,20)
InChIKeyHJJGZVKQGHMBSR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.49
Rot. Bonds3

About 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one

4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 158496620) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one
PubChem CID158496620
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cc(C3=CC=CC3)nc(=O)[nH]2)ccc1O
InChIInChI=1S/C16H14N2O3/c1-21-15-8-11(6-7-14(15)19)13-9-12(17-16(20)18-13)10-4-2-3-5-10/h2-4,6-9,19H,5H2,1H3,(H,17,18,20)
InChIKeyHJJGZVKQGHMBSR-UHFFFAOYSA-N
XLogP2.49
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one (CID 158496620) is 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one is COc1cc(-c2cc(C3=CC=CC3)nc(=O)[nH]2)ccc1O.
What is the InChIKey of 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is HJJGZVKQGHMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-15-8-11(6-7-14(15)19)13-9-12(17-16(20)18-13)10-4-2-3-5-10/h2-4,6-9,19H,5H2,1H3,(H,17,18,20).
What are the key properties of 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one?
4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 158496620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).