5-bromo-4-phenyl-1H-pyrimidin-6-one

C10H7BrN2O — CID 135502028

IUPAC5-bromo-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(-c2ccccc2)c1Br
InChIInChI=1S/C10H7BrN2O/c11-8-9(12-6-13-10(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyDNLRXQMTOGCAIG-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.20
Rot. Bonds1

About 5-bromo-4-phenyl-1H-pyrimidin-6-one

5-bromo-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135502028) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 5-bromo-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-phenyl-1H-pyrimidin-6-one
PubChem CID135502028
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name5-bromo-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(-c2ccccc2)c1Br
InChIInChI=1S/C10H7BrN2O/c11-8-9(12-6-13-10(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyDNLRXQMTOGCAIG-UHFFFAOYSA-N
XLogP2.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-phenyl-1H-pyrimidin-6-one (CID 135502028) is 5-bromo-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-phenyl-1H-pyrimidin-6-one is O=c1[nH]cnc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is DNLRXQMTOGCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-9(12-6-13-10(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,13,14).
What are the key properties of 5-bromo-4-phenyl-1H-pyrimidin-6-one?
5-bromo-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 251.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135502028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).