7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one

C14H9BrN2O3 — CID 66317999

IUPAC7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3ncncc3Br)ccc12
InChIInChI=1S/C14H9BrN2O3/c1-8-4-13(18)20-12-5-9(2-3-10(8)12)19-14-11(15)6-16-7-17-14/h2-7H,1H3
InChIKeyMYUJLOYVEFLXBM-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.45
Rot. Bonds2

About 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one

7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one (PubChem CID 66317999) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
PubChem CID66317999
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3ncncc3Br)ccc12
InChIInChI=1S/C14H9BrN2O3/c1-8-4-13(18)20-12-5-9(2-3-10(8)12)19-14-11(15)6-16-7-17-14/h2-7H,1H3
InChIKeyMYUJLOYVEFLXBM-UHFFFAOYSA-N
XLogP3.45
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one
CID 8539687
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
CID 80866622
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
ethyl 4-(4-methyl-2-oxochromen-7-yl)oxy-2-methylsulfanylpyrimidine-5-carboxylate
CID 990594
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one?
The IUPAC name of 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one (CID 66317999) is 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one.
What is the SMILES notation for 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one?
The canonical SMILES for 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(Oc3ncncc3Br)ccc12.
What is the InChIKey of 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one?
The InChIKey is MYUJLOYVEFLXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c1-8-4-13(18)20-12-5-9(2-3-10(8)12)19-14-11(15)6-16-7-17-14/h2-7H,1H3.
What are the key properties of 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one?
7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one has a molecular weight of 333.14 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one is sourced from PubChem (CID 66317999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).