5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one

C14H9BrN2O2 — CID 66284557

IUPAC5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc3ccccc3c2)nc(O)c1Br
InChIInChI=1S/C14H9BrN2O2/c15-11-13(18)16-12(17-14(11)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,16,17,18,19)
InChIKeyHNYOURJUSKQKRQ-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.06
Rot. Bonds1

About 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one (PubChem CID 66284557) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one
PubChem CID66284557
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc3ccccc3c2)nc(O)c1Br
InChIInChI=1S/C14H9BrN2O2/c15-11-13(18)16-12(17-14(11)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,16,17,18,19)
InChIKeyHNYOURJUSKQKRQ-UHFFFAOYSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-4,6-dihydroxy-2-phenylpyrimidine
CID 13185842
2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 67282238
5-bromo-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 66284761
5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66285156
5-bromo-2-(3-fluoro-4-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286768
5-bromo-2-(5-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66287554
5-bromo-4-hydroxy-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 66312501
5-bromo-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 81273397
5-bromo-2-(3-fluoro-5-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 81536018
2-(4-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 105608342
2-(4-fluoronaphthalen-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 105608343
5-ethyl-2-(4-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 105608344

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one (CID 66284557) is 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc3ccccc3c2)nc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one?
The InChIKey is HNYOURJUSKQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-13(18)16-12(17-14(11)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,16,17,18,19).
What are the key properties of 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one has a molecular weight of 317.14 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66284557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).