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

C15H16BrN3O2 — CID 79432183

IUPAC5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCNC2)nc(O)c1-c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O2/c16-11-5-1-3-9(7-11)12-14(20)18-13(19-15(12)21)10-4-2-6-17-8-10/h1,3,5,7,10,17H,2,4,6,8H2,(H2,18,19,20,21)
InChIKeyBUCFRIJWUDPMFI-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.37
Rot. Bonds2

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

5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (PubChem CID 79432183) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
PubChem CID79432183
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCNC2)nc(O)c1-c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O2/c16-11-5-1-3-9(7-11)12-14(20)18-13(19-15(12)21)10-4-2-6-17-8-10/h1,3,5,7,10,17H,2,4,6,8H2,(H2,18,19,20,21)
InChIKeyBUCFRIJWUDPMFI-UHFFFAOYSA-N
XLogP2.37
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (CID 79432183) is 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCNC2)nc(O)c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is BUCFRIJWUDPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-5-1-3-9(7-11)12-14(20)18-13(19-15(12)21)10-4-2-6-17-8-10/h1,3,5,7,10,17H,2,4,6,8H2,(H2,18,19,20,21).
What are the key properties of 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 350.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79432183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).