5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one

C14H16BrN3O2 — CID 115345591

IUPAC5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)CCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-18(2)8-7-11-16-13(19)12(14(20)17-11)9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H2,16,17,19,20)
InChIKeyFDSZELVMKXYMFZ-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.01
Rot. Bonds4

About 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one

5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115345591) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115345591
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)CCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-18(2)8-7-11-16-13(19)12(14(20)17-11)9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H2,16,17,19,20)
InChIKeyFDSZELVMKXYMFZ-UHFFFAOYSA-N
XLogP2.01
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 115345591) is 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one is CN(C)CCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1.
What is the InChIKey of 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FDSZELVMKXYMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-18(2)8-7-11-16-13(19)12(14(20)17-11)9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 338.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115345591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).