4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one

C15H13N3O3 — CID 80866622

IUPAC4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
SMILESCNc1cncc(Oc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C15H13N3O3/c1-9-5-15(19)21-12-6-10(3-4-11(9)12)20-14-8-17-7-13(16-2)18-14/h3-8H,1-2H3,(H,16,18)
InChIKeyVZGIIXDWXIXDDD-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.73
Rot. Bonds3

About 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one

4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one (PubChem CID 80866622) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
PubChem CID80866622
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
SMILESCNc1cncc(Oc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C15H13N3O3/c1-9-5-15(19)21-12-6-10(3-4-11(9)12)20-14-8-17-7-13(16-2)18-14/h3-8H,1-2H3,(H,16,18)
InChIKeyVZGIIXDWXIXDDD-UHFFFAOYSA-N
XLogP2.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
CID 64594177
7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 66317999
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
6-(4-methyl-2-oxochromen-7-yl)oxy-3-nitropyridine-2-carbonitrile
CID 133499979
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588
4-methyl-7-phenylmethoxychromen-2-one
CID 728520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one?
The IUPAC name of 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one (CID 80866622) is 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one.
What is the SMILES notation for 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one?
The canonical SMILES for 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one is CNc1cncc(Oc2ccc3c(C)cc(=O)oc3c2)n1.
What is the InChIKey of 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one?
The InChIKey is VZGIIXDWXIXDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-5-15(19)21-12-6-10(3-4-11(9)12)20-14-8-17-7-13(16-2)18-14/h3-8H,1-2H3,(H,16,18).
What are the key properties of 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one?
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one has a molecular weight of 283.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one is sourced from PubChem (CID 80866622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).