5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C15H17BrN2O3 — CID 116705983

IUPAC5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(-c2cccc(Br)c2)c(=O)[nH]1
InChIInChI=1S/C15H17BrN2O3/c1-4-21-15(2,3)14-17-12(19)11(13(20)18-14)9-6-5-7-10(16)8-9/h5-8H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyHOGMKYIOXRBZFZ-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.18
Rot. Bonds4

About 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705983) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705983
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(-c2cccc(Br)c2)c(=O)[nH]1
InChIInChI=1S/C15H17BrN2O3/c1-4-21-15(2,3)14-17-12(19)11(13(20)18-14)9-6-5-7-10(16)8-9/h5-8H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyHOGMKYIOXRBZFZ-UHFFFAOYSA-N
XLogP3.18
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 116705983) is 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(C)(C)c1nc(O)c(-c2cccc(Br)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HOGMKYIOXRBZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-4-21-15(2,3)14-17-12(19)11(13(20)18-14)9-6-5-7-10(16)8-9/h5-8H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 353.22 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).