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

C13H14BrN3O2 — CID 79439289

IUPAC2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(CN)c1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C13H14BrN3O2/c1-7(6-15)11-16-12(18)10(13(19)17-11)8-4-2-3-5-9(8)14/h2-5,7H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyQVTAJOKWSNURFC-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.97
Rot. Bonds3

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

2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439289) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439289
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(CN)c1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C13H14BrN3O2/c1-7(6-15)11-16-12(18)10(13(19)17-11)8-4-2-3-5-9(8)14/h2-5,7H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyQVTAJOKWSNURFC-UHFFFAOYSA-N
XLogP1.97
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79439289) is 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one is CC(CN)c1nc(O)c(-c2ccccc2Br)c(=O)[nH]1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QVTAJOKWSNURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-7(6-15)11-16-12(18)10(13(19)17-11)8-4-2-3-5-9(8)14/h2-5,7H,6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 324.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).