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

C11H10BrN3O2 — CID 79439583

IUPAC2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C11H10BrN3O2/c12-7-4-2-1-3-6(7)9-10(16)14-8(5-13)15-11(9)17/h1-4H,5,13H2,(H2,14,15,16,17)
InChIKeyYTUZXSDDAISAPQ-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.36
Rot. Bonds2

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

2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439583) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439583
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C11H10BrN3O2/c12-7-4-2-1-3-6(7)9-10(16)14-8(5-13)15-11(9)17/h1-4H,5,13H2,(H2,14,15,16,17)
InChIKeyYTUZXSDDAISAPQ-UHFFFAOYSA-N
XLogP1.36
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79439583) is 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one is NCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is YTUZXSDDAISAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c12-7-4-2-1-3-6(7)9-10(16)14-8(5-13)15-11(9)17/h1-4H,5,13H2,(H2,14,15,16,17).
What are the key properties of 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 296.12 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).