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

C12H12BrN3O2 — CID 79440809

IUPAC2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(N)c1nc(O)c(-c2cccc(Br)c2)c(=O)[nH]1
InChIInChI=1S/C12H12BrN3O2/c1-6(14)10-15-11(17)9(12(18)16-10)7-3-2-4-8(13)5-7/h2-6H,14H2,1H3,(H2,15,16,17,18)
InChIKeyOWOPIDXWJQWBLB-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.92
Rot. Bonds2

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

2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79440809) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79440809
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(N)c1nc(O)c(-c2cccc(Br)c2)c(=O)[nH]1
InChIInChI=1S/C12H12BrN3O2/c1-6(14)10-15-11(17)9(12(18)16-10)7-3-2-4-8(13)5-7/h2-6H,14H2,1H3,(H2,15,16,17,18)
InChIKeyOWOPIDXWJQWBLB-UHFFFAOYSA-N
XLogP1.92
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobutyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440515
5-(3-bromophenyl)-2-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 79439466
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79422302
2-(1-aminopropan-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440358
2-(1-aminopropan-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440205
5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705983
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43649869
5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79432183
5-(3-bromophenyl)-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115278466
2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439289
5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
CID 102702118

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79440809) is 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one is CC(N)c1nc(O)c(-c2cccc(Br)c2)c(=O)[nH]1.
What is the InChIKey of 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is OWOPIDXWJQWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-6(14)10-15-11(17)9(12(18)16-10)7-3-2-4-8(13)5-7/h2-6H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 310.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79440809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).